Geometry & MOs

Info

ID:	86402
PubChem CID:	49885140
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	512.024345
ΔH_f, kcal/mol:	-33.5
Dipole, Da:	2.9
IP(EA), eV:	-8.47(-0.16)
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]-N-(2,4,6-trichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)C)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations