Geometry & MOs

Info

ID:

104002

PubChem CID:

50086858

Reduced:

Cl2O3N4C30H32 (1)

Stoich.:

A2B3C4D30E32 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-98.79

Dipole, Da:

11.84

IP(EA), eV:

 -8.41(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-oxo-1-[2-(propylcarbamoyl)anilino]butan-2-yl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations