Geometry & MOs

Info

ID:	375051
PubChem CID:	131465375
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-67.35
Dipole, Da:	1.98
IP(EA), eV:	-8.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-4-(chloromethyl)-1-benzothiophen-7-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1C(=CS2)CCl)N)CC(=O)O

DOS

IR

Vibrations