Geometry & MOs

Info

ID:	158093
PubChem CID:	56462970
Reduced:	FN3O4H24C27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	416.13184
ΔH_f, kcal/mol:	-122.15
Dipole, Da:	5.62
IP(EA), eV:	-8.52(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanoethylsulfamoyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC=C4F)N5CCCC5

DOS

IR

Vibrations