Geometry & MOs

Info

ID:	372932
PubChem CID:	131307199
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	-53.92
Dipole, Da:	4.13
IP(EA), eV:	-9.51(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-nitro-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)O)SC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations