Geometry & MOs

Info

ID:	8778
PubChem CID:	81380
Reduced:	OSC10H10 (1)
Stoich.:	ABC10D10 (1)
Weight, g/mol:	178.045236
ΔH_f, kcal/mol:	-24.09
Dipole, Da:	1.76
IP(EA), eV:	-8.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SCCC2=O

DOS

IR

Vibrations