Geometry & MOs

Info

ID:

93823

PubChem CID:

49997018

Reduced:

O4N5C38H53 (1)

Stoich.:

A4B5C38D53 (1)

Weight, g/mol:

549.331505

ΔHf, kcal/mol:

-195.2

Dipole, Da:

6.86

IP(EA), eV:

 -8.89(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5C)C)C

DOS

IR

Vibrations