Geometry & MOs

Info

ID:

427954

PubChem CID:

135165578

Reduced:

ClO4N8C31H33 (1)

Stoich.:

AB4C8D31E33 (1)

Weight, g/mol:

628.3041

ΔHf, kcal/mol:

-78.29

Dipole, Da:

2.36

IP(EA), eV:

 -8.82(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC3=C(N2C)CCN(C3)CC(=O)O)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCNC6)Cl

DOS

IR

Vibrations