Geometry & MOs

Info

ID:	235132
PubChem CID:	92304102
Reduced:	N2S3O4C13H22 (1)
Stoich.:	A2B3C4D13E22 (1)
Weight, g/mol:	276.023849
ΔH_f, kcal/mol:	-159.3
Dipole, Da:	9.94
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)C(=S)NC2=CCS(=O)(=O)C2

DOS

IR

Vibrations