Geometry & MOs

Info

ID:

110728

PubChem CID:

50338120

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-222.4

Dipole, Da:

7.07

IP(EA), eV:

 -8.76(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C

DOS

IR

Vibrations