Geometry & MOs

Info

ID:	384326
PubChem CID:	134976779
Reduced:	SP3N5O11C17H22 (1)
Stoich.:	AB3C5D11E17F22 (1)
Weight, g/mol:	451.342661
ΔH_f, kcal/mol:	-602.88
Dipole, Da:	2.89
IP(EA), eV:	-9.12(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-decoxyoctyl 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)CC4=CC=CC=C4)N)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations