Geometry & MOs

Info

ID:	308064
PubChem CID:	125316805
Reduced:	N3H11C13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	367.066757
ΔH_f, kcal/mol:	105.01
Dipole, Da:	4.34
IP(EA), eV:	-9.05(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S,4aS)-2,5-dioxo-4-(3,4,5-trifluorophenyl)-4,4a-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C3C=CC=CC3=N[C@H]2C4=C1C=NN4

DOS

IR

Vibrations