Geometry & MOs

Info

ID:	16492
PubChem CID:	470877
Reduced:	SN4O4C9H12 (1)
Stoich.:	AB4C4D9E12 (1)
Weight, g/mol:	272.057926
ΔH_f, kcal/mol:	-145.92
Dipole, Da:	3.61
IP(EA), eV:	-9.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=NC2=O)N)C(=O)N

DOS

IR

Vibrations