Gausian Dipole moment (field-independent basis, Debye): X= -13.2600 Y= -2.1934 Z= -1.7518 Tot= 13.5539 Mulliken charges: 1 N -0.823573 2 C -0.270550 3 C 0.755468 4 O -0.714810 5 C -0.577718 6 H 0.298340 7 H 0.195021 8 H 0.229822 9 H 0.305999 10 H 0.412472 11 H 0.440528 12 H 0.440480 13 O -0.691479
Chem
N 0.568 [N(1)] C 0.071 [C(2)] C 0.624 [C(3)] O -0.664 [O(4)] C -0.127 [C(5)] H 0.046 [H(6)] H 0.046 [H(7)] H 0.045 [H(8)] H 0.043 [H(9)] H 0.113 [H(10)] H 0.114 [H(11)] H 0.115 [H(12)] O -0.992 [O(13)]
V(min)= 136,77 V(max)=3835,94 cond(D)2.8989
We have established a relationship between the frequency of the vibrational spectrum of a molecule and its stability, as well as separately formulated a criterion for analyzing the conformational mobility of a polyatomic molecule in the IR region. This video presents the Alanine molecule, its vibrational spectrum, minimum and maximum frequencies, the formula for determining the stability coefficient #deeplearning#artificialintelligence#healthcare#energy#healthcare
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Direction of affinity change
A value lg(cond(W)) that shows the stability of a biological complex and shows the direction of change in the affinity of a dimer under various mutations.
Biochemical | biological software.
Software that allows you to get preliminary results before conducting a laboratory experiment! Benefits of using our software for various biochemical studies:
