Geometry & MOs

Info

ID:	374997
PubChem CID:	131408727
Reduced:	NSO4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	239.025229
ΔH_f, kcal/mol:	-53.15
Dipole, Da:	5.84
IP(EA), eV:	-8.71(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-6-nitro-1-benzothiophen-4-ol

Drug info:

PubChemData

Smile

CCOC1=C(C2=C(C(=C1)[N+](=O)[O-])SC=C2)O

DOS

IR

Vibrations