Geometry & MOs

Info

ID:	132674
PubChem CID:	51398971
Reduced:	FN2O4H10C17 (1)
Stoich.:	AB2C4D10E17 (1)
Weight, g/mol:	383.209658
ΔH_f, kcal/mol:	-52.94
Dipole, Da:	17.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.882279
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl (4S)-4-(4-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/2\C(=O)NC(=NC2=O)[O-])OC3=CC=C(C=C3)F

DOS

IR

Vibrations