Geometry & MOs

Info

ID:	49629
PubChem CID:	11533411
Reduced:	O3N4H24C31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	500.228677
ΔH_f, kcal/mol:	50.64
Dipole, Da:	4.98
IP(EA), eV:	-8.64(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]-methylamino]methyl]-5-(3-fluoro-6-methoxyquinolin-4-yl)pentanoate

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=NN(C2=N1)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6)C(=O)OC

DOS

IR

Vibrations