Geometry & MOs

Info

ID:

120148

PubChem CID:

50715670

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

728.228074

ΔHf, kcal/mol:

-175.78

Dipole, Da:

5.54

IP(EA), eV:

 -8.95(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)C

DOS

IR

Vibrations