Geometry & MOs

Info

ID:	148344
PubChem CID:	53788006
Reduced:	ClSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	434.163969
ΔH_f, kcal/mol:	-89.5
Dipole, Da:	2.03
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-yl]prop-2-enyl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)NC=O)CCC3=CC=CC=C3Cl

DOS

IR

Vibrations