Geometry & MOs

Info

ID:	295934
PubChem CID:	117547851
Reduced:	OC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	228.037564
ΔH_f, kcal/mol:	-100.97
Dipole, Da:	5.2
IP(EA), eV:	-8.95(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)oxetan-3-yl]ethanethiol

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C3(COC3)C=O

DOS

IR

Vibrations