Geometry & MOs

Info

ID:	86254
PubChem CID:	49883551
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	5.07
IP(EA), eV:	-8.91(-0.54)
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-(2-phenoxyethylsulfanyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations