Geometry & MOs

Info

ID:

94930

PubChem CID:

50005001

Reduced:

N5O5C31H43 (1)

Stoich.:

A5B5C31D43 (1)

Weight, g/mol:

563.347155

ΔHf, kcal/mol:

-205.04

Dipole, Da:

8.54

IP(EA), eV:

 -8.78(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations