Geometry & MOs

Info

ID:

103405

PubChem CID:

50071517

Reduced:

ClO5N6C43H47 (1)

Stoich.:

AB5C6D43E47 (1)

Weight, g/mol:

742.384269

ΔHf, kcal/mol:

-158.04

Dipole, Da:

13.39

IP(EA), eV:

 -8.35(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations