Geometry & MOs

Info

ID:	177523
PubChem CID:	76197106
Reduced:	S2O5N6C12H16 (1)
Stoich.:	A2B5C6D12E16 (1)
Weight, g/mol:	696.728427
ΔH_f, kcal/mol:	14.2
Dipole, Da:	6.9
IP(EA), eV:	-9.31(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	5

Chem-info

IUPAC name:

carbon monoxide;iron;trifluorophosphanium

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O.C(C=CCSC(=N)N)SC(=N)N

DOS

IR

Vibrations