Geometry & MOs

Info

ID:	177822
PubChem CID:	76237299
Reduced:	F2N3O4C20H23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	446.067876
ΔH_f, kcal/mol:	-188.65
Dipole, Da:	6.33
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C(C)ON=C(C2=CC(=C(C=C2)OC(F)F)OC)N

DOS

IR

Vibrations