Geometry & MOs

Info

ID:	231551
PubChem CID:	87574095
Reduced:	SN3O4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	436.238788
ΔH_f, kcal/mol:	-79.33
Dipole, Da:	3.5
IP(EA), eV:	-8.21(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[dodecyl(triethyl)-lambda5-phosphanyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CC(C(=O)NC2=NC(=CS2)C)N3CC4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations