Geometry & MOs

Info

ID:

117746

PubChem CID:

50613512

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

652.196774

ΔHf, kcal/mol:

-166.36

Dipole, Da:

7.82

IP(EA), eV:

 -8.95(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-benzamido-4-chloroanilino)-2-oxoethyl]-1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations