Geometry & MOs

Info

ID:

44931

PubChem CID:

10506629

Reduced:

ClN4O8C24H33 (1)

Stoich.:

AB4C8D24E33 (1)

Weight, g/mol:

540.202714

ΔHf, kcal/mol:

-335.56

Dipole, Da:

2.29

IP(EA), eV:

 -9.53(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-chloro-4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]ethoxy]-2-oxo-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1Cl)CNC(=O)ON2C(=O)CCC2=O

DOS

IR

Vibrations