Geometry & MOs

Info

ID:	16425
PubChem CID:	468497
Reduced:	SN2O5C28H28 (1)
Stoich.:	AB2C5D28E28 (1)
Weight, g/mol:	504.171893
ΔH_f, kcal/mol:	-96.11
Dipole, Da:	8.47
IP(EA), eV:	-8.75(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[4-[cyclopropyl-(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)C(=O)C(=C(O2)O)C(C3CC3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations