Geometry & MOs

Info

ID:	86245
PubChem CID:	49883433
Reduced:	SN4O4C24H26 (1)
Stoich.:	AB4C4D24E26 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-43.82
Dipole, Da:	8.62
IP(EA), eV:	-8.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[4-(3-methylphenoxy)butylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=C(C=C1)OC)SC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations