Geometry & MOs

Info

ID:	86340
PubChem CID:	49884216
Reduced:	SN3O4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	444.102289
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	3.79
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-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=C1SCC2=CC=C(C=C2)C(=O)OC(C)C)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations