Geometry & MOs

Info

ID:	375050
PubChem CID:	131465374
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-68.0
Dipole, Da:	2.23
IP(EA), eV:	-8.64(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-3-(chloromethyl)-1-benzothiophen-5-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C(=CS2)CCl)CC(=O)O)N

DOS

IR

Vibrations