Geometry & MOs

Info

ID:	337580
PubChem CID:	127258203
Reduced:	SN2O8C11H16 (1)
Stoich.:	AB2C8D11E16 (1)
Weight, g/mol:	341.158685
ΔH_f, kcal/mol:	-331.29
Dipole, Da:	7.34
IP(EA), eV:	-10.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations