Geometry & MOs

Info

ID:

117950

PubChem CID:

50621871

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

742.243724

ΔHf, kcal/mol:

-174.39

Dipole, Da:

2.3

IP(EA), eV:

 -8.9(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations