Geometry & MOs

Info

ID:	15806
PubChem CID:	451882
Reduced:	SN2O5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	300.077993
ΔH_f, kcal/mol:	-220.91
Dipole, Da:	5.35
IP(EA), eV:	-9.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] ethanethioate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)SC(=O)C

DOS

IR

Vibrations