Geometry & MOs

Info

ID:	374315
PubChem CID:	131326607
Reduced:	NSO4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	225.009579
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	6.5
IP(EA), eV:	-9.49(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(hydroxymethyl)-2-nitro-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)O)CO)[N+](=O)[O-]

DOS

IR

Vibrations