Geometry & MOs

Info

ID:	4147
PubChem CID:	10842
Reduced:	NSO2H4C6 (2)
Stoich.:	ABC2D4E6 (2)
Weight, g/mol:	307.992549
ΔH_f, kcal/mol:	42.65
Dipole, Da:	7.57
IP(EA), eV:	-9.58(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations