Geometry & MOs

Info

ID:	142860
PubChem CID:	53104646
Reduced:	FSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	437.140927
ΔH_f, kcal/mol:	-69.57
Dipole, Da:	4.43
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(C=C2)NC3=CC=CC=C3F)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations