Geometry & MOs

Info

ID:	177189
PubChem CID:	76144202
Reduced:	PN5O8C17H20 (1)
Stoich.:	AB5C8D17E20 (1)
Weight, g/mol:	531.174367
ΔH_f, kcal/mol:	-316.41
Dipole, Da:	3.35
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[[5-(6-aminopurin-9-yl)-3-azidooxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O

DOS

IR

Vibrations