Geometry & MOs

Info

ID:	3846
PubChem CID:	10295
Reduced:	OSH8C13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	212.029586
ΔH_f, kcal/mol:	19.02
Dipole, Da:	2.36
IP(EA), eV:	-8.74(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

thioxanthen-9-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3S2

DOS

IR

Vibrations