Geometry & MOs

Info

ID:

432375

PubChem CID:

135172508

Reduced:

S2O8N9C49H55 (1)

Stoich.:

A2B8C9D49E55 (1)

Weight, g/mol:

740.35653

ΔHf, kcal/mol:

-170.38

Dipole, Da:

3.28

IP(EA), eV:

 -8.23(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[[2-[[3-[2-chloro-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]cyclopentyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOC4=CC5=C(C=C4)N6C=C(N=C6S5)C7=CC=C(C=C7)NC(=O)NC8=NOC(=C8)C(C)(C)C)O

DOS

IR

Vibrations