Geometry & MOs

Info

ID:	337581
PubChem CID:	127258204
Reduced:	N3O6C15H23 (1)
Stoich.:	A3B6C15D23 (1)
Weight, g/mol:	328.127051
ΔH_f, kcal/mol:	-259.1
Dipole, Da:	2.65
IP(EA), eV:	-9.48(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(oxolan-2-ylmethyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CN3CCCC3)CO)O

DOS

IR

Vibrations