Geometry & MOs

Info

ID:	60579
PubChem CID:	26697218
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-108.66
Dipole, Da:	4.47
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)NC

DOS

IR

Vibrations