Geometry & MOs

Info

ID:	384883
PubChem CID:	134977863
Reduced:	PSN7O11C24H32 (1)
Stoich.:	ABC7D11E24F32 (1)
Weight, g/mol:	339.21746
ΔH_f, kcal/mol:	-498.96
Dipole, Da:	10.0
IP(EA), eV:	-9.34(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxyoctyl 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=NC5=C4NC(=NC5=O)NC(=O)C(C)C)O

DOS

IR

Vibrations