Geometry & MOs

Info

ID:	86272
PubChem CID:	49883651
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	4.5
IP(EA), eV:	-8.67(-0.35)
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-(2-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCCCCOC2=CC=CC=C2C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations