Geometry & MOs

Info

ID:

91771

PubChem CID:

49979001

Reduced:

O5N6C38H46 (1)

Stoich.:

A5B6C38D46 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-189.43

Dipole, Da:

8.83

IP(EA), eV:

 -8.52(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[3-methyl-4-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)C)C

DOS

IR

Vibrations