Geometry & MOs

Info

ID:	375049
PubChem CID:	131465370
Reduced:	NO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-51.26
Dipole, Da:	5.63
IP(EA), eV:	-9.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-3-(chloromethyl)-1-benzothiophen-7-yl]acetic acid

Drug info:

PubChemData

Smile

C\1CC(=O)N/C1=C\C(=O)C2=CC=CC=C2

DOS

IR

Vibrations