Geometry & MOs

Info

ID:	373405
PubChem CID:	131314748
Reduced:	NSO3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	226.009993
ΔH_f, kcal/mol:	-16.27
Dipole, Da:	5.31
IP(EA), eV:	-9.01(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-fluoro-4-hydroxy-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C=C2C=CSC2=C1O)[N+](=O)[O-]

DOS

IR

Vibrations