Geometry & MOs

Info

ID:	372675
PubChem CID:	131301954
Reduced:	N2O2S2H8C9 (1)
Stoich.:	A2B2C2D8E9 (1)
Weight, g/mol:	238.009993
ΔH_f, kcal/mol:	26.17
Dipole, Da:	7.77
IP(EA), eV:	-8.86(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CSC1=C(C2=C(C(=C1)[N+](=O)[O-])SC=C2)N

DOS

IR

Vibrations