Geometry & MOs

Info

ID:	373990
PubChem CID:	131322102
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	240.996427
ΔH_f, kcal/mol:	-61.76
Dipole, Da:	3.19
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-2-(chloromethyl)-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C2C=C(SC2=C1)N)CCl

DOS

IR

Vibrations