Geometry & MOs

Info

ID:

447827

PubChem CID:

135286053

Reduced:

N8C23H24 (1)

Stoich.:

A8B23C24 (1)

Weight, g/mol:

624.206736

ΔHf, kcal/mol:

164.73

Dipole, Da:

6.56

IP(EA), eV:

 -8.13(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5N6CCCCC6)N=C2

DOS

IR

Vibrations