Geometry & MOs

Info

ID:

115358

PubChem CID:

50520123

Reduced:

Cl2O4N5C24H27 (1)

Stoich.:

A2B4C5D24E27 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-149.04

Dipole, Da:

4.28

IP(EA), eV:

 -9.07(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-1-[1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations