Geometry & MOs

Info

ID:	86010
PubChem CID:	49880997
Reduced:	SCl3O3N4H17C24 (1)
Stoich.:	AB3C3D4E17F24 (1)
Weight, g/mol:	536.151826
ΔH_f, kcal/mol:	-1.74
Dipole, Da:	5.44
IP(EA), eV:	-9.0(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=C(C=C(C=C5Cl)Cl)Cl

DOS

IR

Vibrations