Geometry & MOs

Info

ID:	190344
PubChem CID:	77990108
Reduced:	SO4N7C19H27 (1)
Stoich.:	AB4C7D19E27 (1)
Weight, g/mol:	464.168869
ΔH_f, kcal/mol:	-67.68
Dipole, Da:	6.66
IP(EA), eV:	-8.2(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-2-[[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CNC(=S)NC1=C2C=NN(C2=NC=N1)CCN3CCCCCC3.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations