Geometry & MOs

Info

ID:	219454
PubChem CID:	85148692
Reduced:	NO2C16H17 (2)
Stoich.:	AB2C16D17 (2)
Weight, g/mol:	511.333456
ΔH_f, kcal/mol:	-97.92
Dipole, Da:	7.16
IP(EA), eV:	-8.31(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[2-(decanoylamino)-3-hexylsulfanylpropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCOC(=O)CCCOC1=CC=CC=C1NC(=O)C=C(C)C2=CC3=C(C=C2)N(C=C3)C(C)C4=CC=CC=C4

DOS

IR

Vibrations