Geometry & MOs

Info

ID:	374172
PubChem CID:	131324827
Reduced:	ClIS2O3C8H8 (1)
Stoich.:	ABC2D3E8F8 (1)
Weight, g/mol:	321.92971
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	3.97
IP(EA), eV:	-9.03(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-3-(difluoromethyl)-6-methylsulfanyl-1-benzothiophene

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)S(=O)(=O)Cl)SC)I

DOS

IR

Vibrations