Geometry & MOs

Info

ID:

120139

PubChem CID:

50715382

Reduced:

Cl3O4N5C30H30 (1)

Stoich.:

A3B4C5D30E30 (1)

Weight, g/mol:

666.212424

ΔHf, kcal/mol:

-132.27

Dipole, Da:

6.78

IP(EA), eV:

 -8.76(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations