Geometry & MOs

Info

ID:

103628

PubChem CID:

50072005

Reduced:

O5N6C33H38 (1)

Stoich.:

A5B6C33D38 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-166.32

Dipole, Da:

7.31

IP(EA), eV:

 -8.78(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)N

DOS

IR

Vibrations