Geometry & MOs

Info

ID:	17043
PubChem CID:	482795
Reduced:	NSO6C32H33 (1)
Stoich.:	ABC6D32E33 (1)
Weight, g/mol:	559.202859
ΔH_f, kcal/mol:	-148.2
Dipole, Da:	6.01
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[5-[cyclopropyl(phenyl)methyl]-6-hydroxy-4-oxopyran-2-yl]butyl]phenyl]-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CCC(CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC(=O)C(=C(O3)O)C(C4CC4)C5=CC=CC=C5

DOS

IR

Vibrations