Geometry & MOs

Info

ID:

95313

PubChem CID:

50008099

Reduced:

O4N5C32H37 (1)

Stoich.:

A4B5C32D37 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-132.97

Dipole, Da:

9.96

IP(EA), eV:

 -8.61(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)C)C

DOS

IR

Vibrations