Geometry & MOs

Info

ID:

119995

PubChem CID:

50710750

Reduced:

Cl2O4N5C32H33 (1)

Stoich.:

A2B4C5D32E33 (1)

Weight, g/mol:

732.259374

ΔHf, kcal/mol:

-123.85

Dipole, Da:

10.55

IP(EA), eV:

 -8.72(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)C(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations