Geometry & MOs

Info

ID:	114461
PubChem CID:	50483813
Reduced:	FO3N4C29H31 (1)
Stoich.:	AB3C4D29E31 (1)
Weight, g/mol:	584.12346
ΔH_f, kcal/mol:	-127.8
Dipole, Da:	6.98
IP(EA), eV:	-8.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations