Geometry & MOs

Info

ID:	375431
PubChem CID:	131529673
Reduced:	BrOS2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	249.91217
ΔH_f, kcal/mol:	4.82
Dipole, Da:	4.46
IP(EA), eV:	-8.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6,7-dihydro-4H-thieno[3,2-c]thiopyran 5-oxide

Drug info:

PubChemData

Smile

C1CS(=O)CC2=CSC(=C21)Br

DOS

IR

Vibrations