Geometry & MOs

Info

ID:

120076

PubChem CID:

50712677

Reduced:

Cl2O5N6C38H50 (1)

Stoich.:

A2B5C6D38E50 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-236.16

Dipole, Da:

6.04

IP(EA), eV:

 -9.04(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations