Geometry & MOs

Info

ID:	16273
PubChem CID:	463215
Reduced:	ClNSO5H30C31 (1)
Stoich.:	ABCD5E30F31 (1)
Weight, g/mol:	563.153322
ΔH_f, kcal/mol:	-116.35
Dipole, Da:	5.63
IP(EA), eV:	-9.45(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations