Geometry & MOs

Info

ID:	60159
PubChem CID:	26675803
Reduced:	ClSF3O3N6H16C18 (1)
Stoich.:	ABC3D3E6F16G18 (1)
Weight, g/mol:	452.120607
ΔH_f, kcal/mol:	-183.47
Dipole, Da:	6.89
IP(EA), eV:	-9.05(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OCC2=NC(=NC(=N2)N)N)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations