Geometry & MOs

Info

ID:	7839
PubChem CID:	74324
Reduced:	OSF3H7C14 (1)
Stoich.:	ABC3D7E14 (1)
Weight, g/mol:	280.016971
ΔH_f, kcal/mol:	-142.91
Dipole, Da:	5.46
IP(EA), eV:	-9.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trifluoromethyl)thioxanthen-9-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(F)(F)F

DOS

IR

Vibrations