Geometry & MOs

Info

ID:	438835
PubChem CID:	135228592
Reduced:	FSO4N5C28H32 (1)
Stoich.:	ABC4D5E28F32 (1)
Weight, g/mol:	507.236936
ΔH_f, kcal/mol:	-141.7
Dipole, Da:	4.98
IP(EA), eV:	-8.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-[1-(2-ethoxy-2-oxoethyl)pyrazol-4-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CCC3=C(C=CC(=C3)F)OC)C(C)(C)C(=O)N4CCCCC4)N5C=CC=N5

DOS

IR

Vibrations