Geometry & MOs

Info

ID:	161582
PubChem CID:	57392045
Reduced:	NSF3O5H24C25 (1)
Stoich.:	ABC3D5E24F25 (1)
Weight, g/mol:	492.242436
ΔH_f, kcal/mol:	-309.95
Dipole, Da:	1.27
IP(EA), eV:	-9.35(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[2-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations