Geometry & MOs

Info

ID:	63502
PubChem CID:	26758500
Reduced:	ClF2N2O3H11C17 (1)
Stoich.:	AB2C2D3E11F17 (1)
Weight, g/mol:	440.176979
ΔH_f, kcal/mol:	-152.98
Dipole, Da:	8.5
IP(EA), eV:	-9.55(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations