Geometry & MOs

Info

ID:

103782

PubChem CID:

50073076

Reduced:

O3F4N4C30H30 (1)

Stoich.:

A3B4C4D30E30 (1)

Weight, g/mol:

649.306433

ΔHf, kcal/mol:

-286.27

Dipole, Da:

0.15

IP(EA), eV:

 -8.63(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations