Geometry & MOs

Info

ID:	16267
PubChem CID:	463196
Reduced:	FNSO6H22C26 (1)
Stoich.:	ABCD6E22F26 (1)
Weight, g/mol:	495.115187
ΔH_f, kcal/mol:	-185.03
Dipole, Da:	9.32
IP(EA), eV:	-8.65(-0.84)
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]-4-fluorobenzenesulfonamide

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=C(C=C5)F

DOS

IR

Vibrations