Geometry & MOs

Info

ID:	191980
PubChem CID:	78208876
Reduced:	SO3N4C14H20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	268.050435
ΔH_f, kcal/mol:	-110.21
Dipole, Da:	3.34
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxopurin-3-ium-8-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)NC(=O)CSC2NC(CC(=O)N2)N

DOS

IR

Vibrations