Geometry & MOs

Info

ID:	230571
PubChem CID:	87571411
Reduced:	SN7O7C28H31 (1)
Stoich.:	AB7C7D28E31 (1)
Weight, g/mol:	534.348338
ΔH_f, kcal/mol:	-126.14
Dipole, Da:	7.64
IP(EA), eV:	-8.84(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[methyl(trioctyl)-lambda5-phosphanyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CO[C@H](CO2)CN3N=C(N=N3)C4=CC(=NC(=N4)C)C(=O)NCC5=CC(=CC=C5)OC

DOS

IR

Vibrations