Geometry & MOs

Info

ID:	375055
PubChem CID:	131465384
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	5.38
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C(=C2)N)CCl)CC(=O)O

DOS

IR

Vibrations