Geometry & MOs

Info

ID:	204334
PubChem CID:	79949656
Reduced:	NSO2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	176.087101
ΔH_f, kcal/mol:	-80.53
Dipole, Da:	1.72
IP(EA), eV:	-8.58(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(propan-2-yloxymethyl)thiolan-3-ol

Drug info:

PubChemData

Smile

CC1CC(CS1)(C(=O)OC)NCC=C

DOS

IR

Vibrations