Geometry & MOs

Info

ID:	219698
PubChem CID:	85164579
Reduced:	NSO8C29H41 (1)
Stoich.:	ABC8D29E41 (1)
Weight, g/mol:	564.034729
ΔH_f, kcal/mol:	-269.21
Dipole, Da:	4.39
IP(EA), eV:	-9.6(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-ethoxy-4,4-diphenyl-4-(trifluoromethylsulfonyloxy)but-2-enylidene]oxidanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC(=CC=C1)C(C(C(=O)OCC)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations