Geometry & MOs

Info

ID:

104149

PubChem CID:

50092214

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-175.32

Dipole, Da:

7.06

IP(EA), eV:

 -8.75(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(C)C

DOS

IR

Vibrations