Geometry & MOs

Info

ID:	374948
PubChem CID:	131407703
Reduced:	ClNOSC10H12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	239.025229
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	1.57
IP(EA), eV:	-8.7(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=C(C=CC=C2Cl)SCC1(CN)O

DOS

IR

Vibrations