Geometry & MOs

Info

ID:	62176
PubChem CID:	26717880
Reduced:	SN2F3O4C21H23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-283.88
Dipole, Da:	9.42
IP(EA), eV:	-9.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]-N-[(2S)-2-phenylbutyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(F)(F)F)OC

DOS

IR

Vibrations