Geometry & MOs

Info

ID:

111802

PubChem CID:

50381659

Reduced:

O4N5C36H49 (1)

Stoich.:

A4B5C36D49 (1)

Weight, g/mol:

561.331505

ΔHf, kcal/mol:

-178.02

Dipole, Da:

7.31

IP(EA), eV:

 -8.64(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(C)C)C(=O)NC5CCCC5

DOS

IR

Vibrations