Geometry & MOs

Info

ID:

117013

PubChem CID:

50584972

Reduced:

Cl2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

526.271069

ΔHf, kcal/mol:

-196.45

Dipole, Da:

9.29

IP(EA), eV:

 -8.81(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-(2-ethyl-6-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)C)Cl)Cl

DOS

IR

Vibrations