Geometry & MOs

Info

ID:	22159
PubChem CID:	596116
Reduced:	OSC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	206.076536
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	5.27
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,6-trimethyl-3H-thiochromen-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=O)CC2(C)C

DOS

IR

Vibrations