Geometry & MOs

Info

ID:	5563
PubChem CID:	13336
Reduced:	NSO2F3H3C7 (2)
Stoich.:	ABC2D3E3F7 (2)
Weight, g/mol:	443.967318
ΔH_f, kcal/mol:	-286.56
Dipole, Da:	2.98
IP(EA), eV:	-9.45(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-1-[[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl]-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations