Geometry & MOs

Info

ID:	299003
PubChem CID:	117666285
Reduced:	ON7C21H27 (1)
Stoich.:	AB7C21D27 (1)
Weight, g/mol:	754.456705
ΔH_f, kcal/mol:	43.22
Dipole, Da:	4.27
IP(EA), eV:	-8.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-2-[2-[2-[3-[(2R)-2,3-di(dodecanoyloxy)propyl]sulfanylpropanoylamino]ethoxy]ethoxy]ethyl]phosphonic acid

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC3=NC(=NC=C3C(=O)N)NC(C4CC4)C5(CC5)N)NC1

DOS

IR

Vibrations