Geometry & MOs

Info

ID:	7352
PubChem CID:	72231
Reduced:	SN4O6C10H12 (1)
Stoich.:	AB4C6D10E12 (1)
Weight, g/mol:	316.047755
ΔH_f, kcal/mol:	-215.78
Dipole, Da:	9.15
IP(EA), eV:	-9.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)N=C(N3)N)SC2=O)O)O)O

DOS

IR

Vibrations