Geometry & MOs

Info

ID:

94415

PubChem CID:

50000829

Reduced:

N6O6C43H54 (1)

Stoich.:

A6B6C43D54 (1)

Weight, g/mol:

754.360946

ΔHf, kcal/mol:

-223.02

Dipole, Da:

4.85

IP(EA), eV:

 -8.18(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(phenylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations