Geometry & MOs

Info

ID:

106602

PubChem CID:

50170693

Reduced:

N6O6C37H44 (1)

Stoich.:

A6B6C37D44 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-209.75

Dipole, Da:

10.41

IP(EA), eV:

 -8.84(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propylcarbamoyl)phenyl]-1-[1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations