Geometry & MOs

Info

ID:	227688
PubChem CID:	87562233
Reduced:	CaN3O3C6H13 (1)
Stoich.:	AB3C3D6E13 (1)
Weight, g/mol:	266.090272
ΔH_f, kcal/mol:	-124.57
Dipole, Da:	16.48
IP(EA), eV:	-7.49(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CNC(=NC)N(C)C.C(=O)([O-])[O-].[Ca+2]

DOS

IR

Vibrations