Geometry & MOs

Info

ID:	84559
PubChem CID:	49867895
Reduced:	PN5O5C8H12 (1)
Stoich.:	AB5C5D8E12 (1)
Weight, g/mol:	246.085186
ΔH_f, kcal/mol:	-218.74
Dipole, Da:	1.79
IP(EA), eV:	-9.17(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C[C@@H](COP(=O)(O)O)O)N

DOS

IR

Vibrations