Geometry & MOs

Info

ID:	308129
PubChem CID:	125317069
Reduced:	SO2N4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	343.178358
ΔH_f, kcal/mol:	-3.11
Dipole, Da:	7.51
IP(EA), eV:	-8.7(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-cyclohexyl-3-[(3R)-2,4-dioxo-1H-quinolin-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2[C@@H]([C@H](C(=O)NC2=S)[C@H]3[C@@H]4C(=C5C=CC=CC5=N4)CCN3)O)C

DOS

IR

Vibrations