Geometry & MOs

Info

ID:	373070
PubChem CID:	131309418
Reduced:	BrNSO3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	224.01433
ΔH_f, kcal/mol:	11.47
Dipole, Da:	4.35
IP(EA), eV:	-9.48(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dihydroxy-1-benzothiophen-2-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2C=O)[N+](=O)[O-])CBr

DOS

IR

Vibrations