Geometry & MOs

Info

ID:	7394
PubChem CID:	72371
Reduced:	SN2O4C10H14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	258.067428
ΔH_f, kcal/mol:	-180.75
Dipole, Da:	4.7
IP(EA), eV:	-9.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O

DOS

IR

Vibrations