Geometry & MOs

Info

ID:	16269
PubChem CID:	463198
Reduced:	SN2O6H24C29 (1)
Stoich.:	AB2C6D24E29 (1)
Weight, g/mol:	528.135508
ΔH_f, kcal/mol:	-108.61
Dipole, Da:	5.66
IP(EA), eV:	-8.26(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[cyclopropyl-(2-hydroxy-7-methoxy-4-oxochromen-3-yl)methyl]phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6

DOS

IR

Vibrations