Geometry & MOs

Info

ID:	204328
PubChem CID:	79948193
Reduced:	NOSC12H25 (1)
Stoich.:	ABCD12E25 (1)
Weight, g/mol:	224.087101
ΔH_f, kcal/mol:	-72.9
Dipole, Da:	3.43
IP(EA), eV:	-8.29(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methoxyphenyl)methyl]thiolan-3-ol

Drug info:

PubChemData

Smile

CC(CNC1CSCCC1(C)C)COC

DOS

IR

Vibrations