Geometry & MOs

Info

ID:	13463
PubChem CID:	234389
Reduced:	BrSO3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	287.94558
ΔH_f, kcal/mol:	-87.14
Dipole, Da:	2.35
IP(EA), eV:	-8.9(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(6-bromo-1,3-benzodioxol-5-yl)methyl] ethanethioate

Drug info:

PubChemData

Smile

CC(=O)SCC1=CC2=C(C=C1Br)OCO2

DOS

IR

Vibrations