Geometry & MOs

Info

ID:	320377
PubChem CID:	126660041
Reduced:	FSO3N4C24H33 (1)
Stoich.:	ABC3D4E24F33 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	20.36
Dipole, Da:	1.43
IP(EA), eV:	-7.98(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethane-1,1,1-triol

Drug info:

PubChemData

Smile

CCC/C(=C\C(=C/C=C)\N1CCN(S1)CCCCCOC2=CC3=C(C=C2)C(=NO3)OF)/NC

DOS

IR

Vibrations