Geometry & MOs

Info

ID:	131497
PubChem CID:	51214572
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	361.120861
ΔH_f, kcal/mol:	10.35
Dipole, Da:	4.07
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-7-methyl-8-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CS1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations