Geometry & MOs

Info

ID:

117633

PubChem CID:

50609148

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

658.267046

ΔHf, kcal/mol:

-186.78

Dipole, Da:

4.71

IP(EA), eV:

 -8.85(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations