Geometry & MOs

Info

ID:	214496
PubChem CID:	85083124
Reduced:	SF3O3N6C25H29 (1)
Stoich.:	AB3C3D6E25F29 (1)
Weight, g/mol:	541.168105
ΔH_f, kcal/mol:	-167.96
Dipole, Da:	6.66
IP(EA), eV:	-9.14(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]methylideneamino]-triphenylphosphanium

Drug info:

PubChemData

Smile

CN1C2C(CN1)C3C(C(N2)C4=CC(=CC=C4)C(F)(F)F)C(=O)N(N3)C5=CC=C(C=C5)S(=O)(=O)NCC6CC6

DOS

IR

Vibrations