Geometry & MOs

Info

ID:	25628
PubChem CID:	627608
Reduced:	N2O3H4C6 (2)
Stoich.:	A2B3C4D6 (2)
Weight, g/mol:	304.019199
ΔH_f, kcal/mol:	39.8
Dipole, Da:	6.03
IP(EA), eV:	-10.2(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(4-fluorophenyl)dithiine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations