Geometry & MOs

Info

ID:	86413
PubChem CID:	49885344
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	467.162725
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	1.24
IP(EA), eV:	-8.82(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)N)C2C(OC3=CC=CC=C3O2)C

DOS

IR

Vibrations