Geometry & MOs

Info

ID:

119869

PubChem CID:

50705871

Reduced:

ClN6O6C35H39 (1)

Stoich.:

AB6C6D35E39 (1)

Weight, g/mol:

692.228074

ΔHf, kcal/mol:

-201.2

Dipole, Da:

5.05

IP(EA), eV:

 -8.98(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations