Geometry & MOs

Info

ID:

109734

PubChem CID:

50295589

Reduced:

FO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

623.347155

ΔHf, kcal/mol:

-235.03

Dipole, Da:

4.09

IP(EA), eV:

 -8.73(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)F

DOS

IR

Vibrations