Geometry & MOs

Info

ID:

96903

PubChem CID:

50025696

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

667.297011

ΔHf, kcal/mol:

-176.2

Dipole, Da:

4.39

IP(EA), eV:

 -9.17(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC(C)C

DOS

IR

Vibrations