Geometry & MOs

Info

ID:	86255
PubChem CID:	49883554
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	467.108582
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	5.5
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCCOC2=CC=CC=C2)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations