Geometry & MOs

Info

ID:

104013

PubChem CID:

50086905

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

734.298346

ΔHf, kcal/mol:

-185.14

Dipole, Da:

9.73

IP(EA), eV:

 -8.49(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)C)Cl

DOS

IR

Vibrations