Geometry & MOs

Info

ID:	64170
PubChem CID:	29197467
Reduced:	SF2N4O6H10C15 (1)
Stoich.:	AB2C4D6E10F15 (1)
Weight, g/mol:	466.210387
ΔH_f, kcal/mol:	-103.46
Dipole, Da:	5.51
IP(EA), eV:	-9.61(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-ethyl-2-propylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SCC(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])F)F

DOS

IR

Vibrations