Geometry & MOs

Info

ID:	7823
PubChem CID:	74285
Reduced:	SN4O5C10H14 (1)
Stoich.:	AB4C5D10E14 (1)
Weight, g/mol:	302.068491
ΔH_f, kcal/mol:	-182.65
Dipole, Da:	2.83
IP(EA), eV:	-9.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCS(=O)(=O)O

DOS

IR

Vibrations