Geometry & MOs

Info

ID:

432845

PubChem CID:

135172982

Reduced:

N5O8C42H69 (1)

Stoich.:

A5B8C42D69 (1)

Weight, g/mol:

528.213455

ΔHf, kcal/mol:

-380.34

Dipole, Da:

7.93

IP(EA), eV:

 -9.0(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[7-(4-methylimidazol-1-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-2-phenylethanol

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1[C@@H](C[C@H]2[C@@H]1[C@H]2C)[C@@H]([C@@H](C)C(=O)N[C@@H](CC3=CC=C(C=C3)C)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations