Geometry & MOs

Info

ID:	134391
PubChem CID:	51689593
Reduced:	BrO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	460.199822
ΔH_f, kcal/mol:	-164.15
Dipole, Da:	6.36
IP(EA), eV:	-9.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (4S,6S,7R)-2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H]1[C@H](C(=O)OC2=C1C=C(C=C2)Br)C(=O)OCC)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations