Geometry & MOs

Info

ID:	70299
PubChem CID:	48413155
Reduced:	FSN3O3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	415.120192
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	4.23
IP(EA), eV:	-9.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations