Geometry & MOs

Info

ID:	235133
PubChem CID:	92304104
Reduced:	N2S2O4C9H12 (1)
Stoich.:	A2B2C4D9E12 (1)
Weight, g/mol:	276.023849
ΔH_f, kcal/mol:	-161.29
Dipole, Da:	3.63
IP(EA), eV:	-9.84(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)S)S

DOS

IR

Vibrations