Geometry & MOs

Info

ID:	20836
PubChem CID:	586043
Reduced:	OSC10H10 (1)
Stoich.:	ABC10D10 (1)
Weight, g/mol:	178.045236
ΔH_f, kcal/mol:	-18.85
Dipole, Da:	1.64
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2,3-dihydrothiochromen-4-one

Drug info:

PubChemData

Smile

CC1CSC2=CC=CC=C2C1=O

DOS

IR

Vibrations