Geometry & MOs

Info

ID:

115816

PubChem CID:

50534859

Reduced:

Cl2O4N5C33H43 (1)

Stoich.:

A2B4C5D33E43 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-197.76

Dipole, Da:

4.58

IP(EA), eV:

 -8.79(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations