Geometry & MOs

Info

ID:	51983
PubChem CID:	12014754
Reduced:	PSN2F3O3C24H35 (1)
Stoich.:	ABC2D3E3F24G35 (1)
Weight, g/mol:	439.155786
ΔH_f, kcal/mol:	-260.34
Dipole, Da:	6.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.096592
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6-tritert-butylphenyl)iminophosphanyl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)N=POS(=O)(=O)C(F)(F)F)C(C)(C)C.C1=CC=NC=C1

DOS

IR

Vibrations