Geometry & MOs

Info

ID:	64096
PubChem CID:	29196106
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	459.123975
ΔH_f, kcal/mol:	-20.67
Dipole, Da:	4.78
IP(EA), eV:	-9.39(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N2CCC3=CC=CC=C3C2)C

DOS

IR

Vibrations