Geometry & MOs

Info

ID:	168424
PubChem CID:	74965678
Reduced:	PF3N4O12C25H34 (1)
Stoich.:	AB3C4D12E25F34 (1)
Weight, g/mol:	516.152234
ΔH_f, kcal/mol:	-710.84
Dipole, Da:	7.86
IP(EA), eV:	-9.63(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[(2-amino-6-oxo-5H-purin-9-yl)methoxy]ethoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCCCOC)NP(=O)(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(C)O)O)OC3=CC=CC=C3.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations