Geometry & MOs

Info

ID:

113940

PubChem CID:

50465399

Reduced:

ClO5N6C42H45 (1)

Stoich.:

AB5C6D42E45 (1)

Weight, g/mol:

748.313996

ΔHf, kcal/mol:

-163.86

Dipole, Da:

4.87

IP(EA), eV:

 -8.68(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6C)Cl

DOS

IR

Vibrations