Geometry & MOs

Info

ID:	17092
PubChem CID:	483922
Reduced:	SN2O4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	284.083078
ΔH_f, kcal/mol:	-159.0
Dipole, Da:	4.71
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](S3)CO)O

DOS

IR

Vibrations