Geometry & MOs

Info

ID:

93012

PubChem CID:

49990980

Reduced:

O4N5C38H47 (1)

Stoich.:

A4B5C38D47 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-145.62

Dipole, Da:

5.7

IP(EA), eV:

 -8.58(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations