Geometry & MOs

Info

ID:	123251
PubChem CID:	50839447
Reduced:	S2F3O3N4C20H21 (1)
Stoich.:	A2B3C3D4E20F21 (1)
Weight, g/mol:	430.063269
ΔH_f, kcal/mol:	-189.14
Dipole, Da:	4.01
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2=NNC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations