Geometry & MOs

Info

ID:	17235
PubChem CID:	489572
Reduced:	SO2N6C9H12 (1)
Stoich.:	AB2C6D9E12 (1)
Weight, g/mol:	268.074245
ΔH_f, kcal/mol:	8.1
Dipole, Da:	8.06
IP(EA), eV:	-9.55(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2S,3S,5R)-3-azido-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1[C@@H](S[C@@H]([C@H]1N=[N+]=[N-])N2C=CC(=NC2=O)N)CO

DOS

IR

Vibrations