Geometry & MOs

Info

ID:

110047

PubChem CID:

50307005

Reduced:

F3O4N5C30H30 (1)

Stoich.:

A3B4C5D30E30 (1)

Weight, g/mol:

577.250061

ΔHf, kcal/mol:

-247.93

Dipole, Da:

9.02

IP(EA), eV:

 -8.9(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations