Geometry & MOs

Info

ID:	227731
PubChem CID:	87562327
Reduced:	F2N2O3H5C9 (1)
Stoich.:	A2B2C3D5E9 (1)
Weight, g/mol:	1378.311071
ΔH_f, kcal/mol:	-119.57
Dipole, Da:	2.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790863
Charge, e:	0

Chem-info

IUPAC name:

1-[[di(docosyl)phosphinothioylamino]-docosylphosphinothioyl]docosane

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=O)C(=[N+]=N)C(=O)O)F

DOS

IR

Vibrations