Geometry & MOs

Info

ID:

101964

PubChem CID:

50065241

Reduced:

FO4N5C36H36 (1)

Stoich.:

AB4C5D36E36 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-144.64

Dipole, Da:

12.27

IP(EA), eV:

 -8.85(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[(4-fluorophenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations