Geometry & MOs

Info

ID:	237232
PubChem CID:	92717950
Reduced:	FSN3O4H18C22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	482.184172
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	3.41
IP(EA), eV:	-9.47(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)COC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)F

DOS

IR

Vibrations