Geometry & MOs

Info

ID:

443878

PubChem CID:

135260264

Reduced:

FON8H33C36 (1)

Stoich.:

ABC8D33E36 (1)

Weight, g/mol:

598.191086

ΔHf, kcal/mol:

158.1

Dipole, Da:

7.08

IP(EA), eV:

 -8.63(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CC(=C6)CNCC7=CC=CC=C7)NN4)/C=C32)F

DOS

IR

Vibrations