Geometry & MOs

Info

ID:	86460
PubChem CID:	49885829
Reduced:	SO4N6H28C30 (1)
Stoich.:	AB4C6D28E30 (1)
Weight, g/mol:	479.10704
ΔH_f, kcal/mol:	7.9
Dipole, Da:	5.79
IP(EA), eV:	-8.8(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=C(N(N(C5=O)C6=CC=CC=C6)C)C

DOS

IR

Vibrations