Geometry & MOs

Info

ID:	373904
PubChem CID:	131321146
Reduced:	OSC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	219.994263
ΔH_f, kcal/mol:	-62.68
Dipole, Da:	5.84
IP(EA), eV:	-8.8(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-2-nitro-1-benzothiophene-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)C=C(C=C2)CC(=O)O)SC

DOS

IR

Vibrations