Geometry & MOs

Info

ID:	86434
PubChem CID:	49885482
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-13.6
Dipole, Da:	3.41
IP(EA), eV:	-8.77(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3CC=C)SCC(=O)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations