Geometry & MOs

Info

ID:	13516
PubChem CID:	240082
Reduced:	SO2N4H6C7 (1)
Stoich.:	AB2C4D6E7 (1)
Weight, g/mol:	210.021147
ΔH_f, kcal/mol:	-7.34
Dipole, Da:	6.68
IP(EA), eV:	-9.76(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7H-purin-8-ylsulfanyl)acetic acid

Drug info:

PubChemData

Smile

C1=C2C(=NC=N1)N=C(N2)SCC(=O)O

DOS

IR

Vibrations