Geometry & MOs

Info

ID:	375053
PubChem CID:	131465381
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-68.7
Dipole, Da:	6.54
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1CCl)C=C(S2)CC(=O)O)N

DOS

IR

Vibrations