Geometry & MOs

Info

ID:	373987
PubChem CID:	131322065
Reduced:	ClNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	240.996427
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	5.64
IP(EA), eV:	-8.82(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(chloromethyl)-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(S2)CCl)C(=C1N)C(=O)O

DOS

IR

Vibrations