Geometry & MOs

Info

ID:	8166
PubChem CID:	75196
Reduced:	SN2H3O4C6 (2)
Stoich.:	AB2C3D4E6 (2)
Weight, g/mol:	397.962706
ΔH_f, kcal/mol:	33.77
Dipole, Da:	1.03
IP(EA), eV:	-9.61(-2.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dinitrophenyl)disulfanyl]-2,4-dinitrobenzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations