Geometry & MOs

Info

ID:

120346

PubChem CID:

50723645

Reduced:

ClN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

748.254289

ΔHf, kcal/mol:

-229.04

Dipole, Da:

9.82

IP(EA), eV:

 -8.46(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations