Geometry & MOs

Info

ID:	86341
PubChem CID:	49884218
Reduced:	ClSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	478.063317
ΔH_f, kcal/mol:	-36.08
Dipole, Da:	4.33
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations