Geometry & MOs

Info

ID:	373988
PubChem CID:	131322070
Reduced:	ClNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	240.996427
ΔH_f, kcal/mol:	-55.94
Dipole, Da:	5.14
IP(EA), eV:	-8.81(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-(chloromethyl)-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C=C2C(=O)O)N)CCl

DOS

IR

Vibrations