Geometry & MOs

Info

ID:

112126

PubChem CID:

50396242

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-213.47

Dipole, Da:

10.39

IP(EA), eV:

 -8.7(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4

DOS

IR

Vibrations