Geometry & MOs

Info

ID:	162185
PubChem CID:	57393876
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	530.214777
ΔH_f, kcal/mol:	-28.83
Dipole, Da:	5.69
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]-3-(4-fluorophenyl)propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CCCN(CCN)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations