Geometry & MOs

Info

ID:	374776
PubChem CID:	131342753
Reduced:	SO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	236.050715
ΔH_f, kcal/mol:	-95.53
Dipole, Da:	7.79
IP(EA), eV:	-8.74(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-3-methoxy-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1)OC)C=C(S2)C(=O)O

DOS

IR

Vibrations