Geometry & MOs

Info

ID:	396758
PubChem CID:	135029156
Reduced:	PN2C9O11H12 (1)
Stoich.:	AB2C9D11E12 (1)
Weight, g/mol:	358.041346
ΔH_f, kcal/mol:	-394.85
Dipole, Da:	3.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.786160
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S)-2,3,4,5-tetrahydroxy-5-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)pentyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@H](C(C1=C(NC(=O)NC1=O)[O-])O)O)O)O)OP(=O)([O-])[O-]

DOS

IR

Vibrations