Geometry & MOs

Info

ID:	26483
PubChem CID:	650028
Reduced:	SN2O4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	402.136176
ΔH_f, kcal/mol:	-115.46
Dipole, Da:	4.63
IP(EA), eV:	-9.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations