Geometry & MOs

Info

ID:	219249
PubChem CID:	85096701
Reduced:	NBr2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	474.15149
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	3.54
IP(EA), eV:	-8.93(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(2-aminopropanoylamino)-2-methylazetidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC23C4C(=O)C(CC2(C1CC5=C(C=C(C(=C35)O4)OC)Br)O)Br

DOS

IR

Vibrations