Geometry & MOs

Info

ID:

192086

PubChem CID:

78225849

Reduced:

N19O19C86H121 (1)

Stoich.:

A19B19C86D121 (1)

Weight, g/mol:

414.080491

ΔHf, kcal/mol:

-805.47

Dipole, Da:

3.54

IP(EA), eV:

 -8.61(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-6H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H](C(C)C)N

DOS

IR

Vibrations