Geometry & MOs

Info

ID:

111687

PubChem CID:

50377768

Reduced:

N3O3C17H23 (2)

Stoich.:

A3B3C17D23 (2)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-256.72

Dipole, Da:

9.64

IP(EA), eV:

 -8.82(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4)NC(=O)C(C)C

DOS

IR

Vibrations