Geometry & MOs

Info

ID:	372933
PubChem CID:	131307208
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	-53.47
Dipole, Da:	8.98
IP(EA), eV:	-9.58(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-nitro-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(SC2=C1)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations