Geometry & MOs

Info

ID:	85065
PubChem CID:	49871572
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	173.980922
ΔH_f, kcal/mol:	-103.1
Dipole, Da:	3.75
IP(EA), eV:	-9.51(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis(sulfanyl)benzene-1,4-diol

Drug info:

PubChemData

Smile

C[N+]1=[C-]NC2=C1C=C(C(=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations