Geometry & MOs

Info

ID:	170750
PubChem CID:	75276411
Reduced:	FSN6O8C17H17 (1)
Stoich.:	ABC6D8E17F17 (1)
Weight, g/mol:	402.098249
ΔH_f, kcal/mol:	-283.32
Dipole, Da:	6.99
IP(EA), eV:	-9.08(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloropyridin-3-yl)-5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)chromen-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=O)NS(=O)(=O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O

DOS

IR

Vibrations