Geometry & MOs

Info

ID:	295935
PubChem CID:	117547953
Reduced:	ClOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	222.107836
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	1.58
IP(EA), eV:	-9.19(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,5-dimethylphenyl)oxetan-3-yl]ethanethiol

Drug info:

PubChemData

Smile

C1C(CO1)(CCS)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations