Geometry & MOs

Info

ID:	372625
PubChem CID:	131301096
Reduced:	BrSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	283.95066
ΔH_f, kcal/mol:	-56.58
Dipole, Da:	3.88
IP(EA), eV:	-9.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-4-methyl-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C=C(S2)CBr)C(=O)O

DOS

IR

Vibrations