Geometry & MOs

Info

ID:	204335
PubChem CID:	79949672
Reduced:	SO2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	222.107836
ΔH_f, kcal/mol:	-113.81
Dipole, Da:	4.0
IP(EA), eV:	-8.53(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethylphenyl)methyl]thiolan-3-ol

Drug info:

PubChemData

Smile

CC(C)OCC1(CCSC1)O

DOS

IR

Vibrations