Geometry & MOs

Info

ID:

111863

PubChem CID:

50384583

Reduced:

O5N6C42H52 (1)

Stoich.:

A5B6C42D52 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-190.05

Dipole, Da:

8.62

IP(EA), eV:

 -8.46(-0.34)

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-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6CCCC6)C

DOS

IR

Vibrations