Geometry & MOs

Info

ID:	86292
PubChem CID:	49883917
Reduced:	SN2O2C11H12 (2)
Stoich.:	AB2C2D11E12 (2)
Weight, g/mol:	443.133734
ΔH_f, kcal/mol:	-54.04
Dipole, Da:	4.68
IP(EA), eV:	-8.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonylmethyl)-5-[2-(4-ethylphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations