Geometry & MOs

Info

ID:	13465
PubChem CID:	234397
Reduced:	ClSO2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	201.985528
ΔH_f, kcal/mol:	-53.04
Dipole, Da:	1.94
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-1,3-benzodioxol-5-yl)methanethiol

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)CS)Cl

DOS

IR

Vibrations