Geometry & MOs

Info

ID:	122582
PubChem CID:	50813293
Reduced:	SO3N4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	484.120526
ΔH_f, kcal/mol:	-31.42
Dipole, Da:	6.66
IP(EA), eV:	-8.32(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(C)(C)C)O)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations