Geometry & MOs

Info

ID:	86262
PubChem CID:	49883602
Reduced:	SN5O5H19C20 (1)
Stoich.:	AB5C5D19E20 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-21.18
Dipole, Da:	9.77
IP(EA), eV:	-9.15(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3COC4=CC=CC=C4O3

DOS

IR

Vibrations