Geometry & MOs

Info

ID:	442
PubChem CID:	2772
Reduced:	P2N4O11C14H27 (1)
Stoich.:	A2B4C11D14E27 (1)
Weight, g/mol:	489.115157
ΔH_f, kcal/mol:	-509.66
Dipole, Da:	13.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.788140
Charge, e:	1

Chem-info

IUPAC name:

2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-3-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1(COC(C1O)N2C=CC(=NC2=O)N)O

DOS

IR

Vibrations