Geometry & MOs

Info

ID:	26373
PubChem CID:	645500
Reduced:	O3N6C26H30 (1)
Stoich.:	A3B6C26D30 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-8.51
Dipole, Da:	7.4
IP(EA), eV:	-8.29(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-2-ethylimidazole

Drug info:

PubChemData

Smile

CCC(C)(C)N1C(=NN=N1)C(C2=CC3=CC(=C(C=C3NC2=O)OC)OC)N4CCC5=CC=CC=C54

DOS

IR

Vibrations