Geometry & MOs

Info

ID:	373837
PubChem CID:	131320537
Reduced:	ClSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-129.39
Dipole, Da:	3.35
IP(EA), eV:	-8.89(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-2-cyano-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(C(=O)O)O)SC(=C2O)Cl

DOS

IR

Vibrations