Geometry & MOs

Info

ID:	16397
PubChem CID:	466813
Reduced:	SN2O5C29H34 (1)
Stoich.:	AB2C5D29E34 (1)
Weight, g/mol:	522.218843
ΔH_f, kcal/mol:	-148.22
Dipole, Da:	2.7
IP(EA), eV:	-9.36(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[3-[cyclopentyl-(2-hydroxy-4-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCC1(C(=O)C(=C(O1)O)C(C2CCCC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C#N)CCC

DOS

IR

Vibrations