Geometry & MOs

Info

ID:	86412
PubChem CID:	49885343
Reduced:	ClSN3O3C23H26 (1)
Stoich.:	ABC3D3E23F26 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-44.29
Dipole, Da:	2.26
IP(EA), eV:	-8.8(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCCCCOC2=CC=C(C=C2)Cl)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations