Geometry & MOs

Info

ID:	424118
PubChem CID:	135121387
Reduced:	P2S2N6O10C19H30 (1)
Stoich.:	A2B2C6D10E19F30 (1)
Weight, g/mol:	468.272629
ΔH_f, kcal/mol:	-477.86
Dipole, Da:	5.9
IP(EA), eV:	-9.02(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(2R)-2-butanoyloxy-3-nonanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CC1(C/C(=C\SSP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)/C(N1O)(C)C)C

DOS

IR

Vibrations