Geometry & MOs

Info

ID:	86332
PubChem CID:	49884130
Reduced:	SN4O5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-127.16
Dipole, Da:	3.69
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-(3-methyl-2H-1,4-benzodioxin-3-yl)-5-[3-(3-methylphenoxy)propylsulfanyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations