Geometry & MOs

Info

ID:

103503

PubChem CID:

50071621

Reduced:

O3F4N4C30H30 (1)

Stoich.:

A3B4C4D30E30 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-277.1

Dipole, Da:

6.3

IP(EA), eV:

 -8.83(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations