Geometry & MOs

Info

ID:	140507
PubChem CID:	52711874
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	440.156992
ΔH_f, kcal/mol:	-124.82
Dipole, Da:	2.8
IP(EA), eV:	-8.71(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-fluorophenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CCN(C[C@@H]1COC2=CC=CC=C2O1)C(=O)NCCOC3=CC=CC=C3C

DOS

IR

Vibrations