Geometry & MOs

Info

ID:	375054
PubChem CID:	131465382
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-68.95
Dipole, Da:	5.36
IP(EA), eV:	-8.76(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-5-(chloromethyl)-1-benzothiophen-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1CCl)N)CC(=O)O

DOS

IR

Vibrations