Geometry & MOs

Info

ID:

427994

PubChem CID:

135165659

Reduced:

S3O4N7C17H17 (1)

Stoich.:

A3B4C7D17E17 (1)

Weight, g/mol:

583.221099

ΔHf, kcal/mol:

-4.56

Dipole, Da:

3.71

IP(EA), eV:

 -9.28(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-cyanophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2S1)C3=C(C(=C(C=C3)S(=O)(=O)CCN)S(=O)(=O)N)C4=NNN=N4

DOS

IR

Vibrations