Geometry & MOs

Info

ID:

96023

PubChem CID:

50018469

Reduced:

FO4N5C39H42 (1)

Stoich.:

AB4C5D39E42 (1)

Weight, g/mol:

681.312661

ΔHf, kcal/mol:

-153.65

Dipole, Da:

5.64

IP(EA), eV:

 -8.85(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations