Geometry & MOs

Info

ID:	86109
PubChem CID:	49881914
Reduced:	O2S2N3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	425.159555
ΔH_f, kcal/mol:	31.49
Dipole, Da:	2.1
IP(EA), eV:	-8.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations