Geometry & MOs

Info

ID:	374996
PubChem CID:	131408715
Reduced:	NSO4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	239.025229
ΔH_f, kcal/mol:	-52.48
Dipole, Da:	7.59
IP(EA), eV:	-9.04(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-7-nitro-1-benzothiophen-4-ol

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)SC(=C2[N+](=O)[O-])O

DOS

IR

Vibrations