Geometry & MOs

Info

ID:

444123

PubChem CID:

135261408

Reduced:

FO2N7H22C32 (1)

Stoich.:

AB2C7D22E32 (1)

Weight, g/mol:

613.201985

ΔHf, kcal/mol:

98.92

Dipole, Da:

10.59

IP(EA), eV:

 -8.7(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3Z)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC(=CC(=C7)F)O)/NN4

DOS

IR

Vibrations