Geometry & MOs

Info

ID:

92493

PubChem CID:

49987289

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-183.77

Dipole, Da:

5.72

IP(EA), eV:

 -8.82(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations