Geometry & MOs

Info

ID:

111911

PubChem CID:

50386221

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-226.71

Dipole, Da:

5.0

IP(EA), eV:

 -8.72(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[2-[2-methyl-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)C)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4C

DOS

IR

Vibrations