Geometry & MOs

Info

ID:

117730

PubChem CID:

50613159

Reduced:

ClO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

666.212424

ΔHf, kcal/mol:

-210.03

Dipole, Da:

5.33

IP(EA), eV:

 -8.8(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations