Geometry & MOs

Info

ID:	373797
PubChem CID:	131320140
Reduced:	SCl2F2H6C10 (1)
Stoich.:	AB2C2D6E10 (1)
Weight, g/mol:	315.92273
ΔH_f, kcal/mol:	-79.6
Dipole, Da:	1.36
IP(EA), eV:	-9.15(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-3-methylsulfanyl-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(F)F)C(=C(S2)Cl)CCl

DOS

IR

Vibrations