Geometry & MOs

Info

ID:	123267
PubChem CID:	50840043
Reduced:	S2F3N3O4C20H20 (1)
Stoich.:	A2B3C3D4E20F20 (1)
Weight, g/mol:	424.106848
ΔH_f, kcal/mol:	-199.48
Dipole, Da:	5.75
IP(EA), eV:	-8.1(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations