Geometry & MOs

Info

ID:	44629
PubChem CID:	10504541
Reduced:	BrN3O4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	470.157718
ΔH_f, kcal/mol:	-72.87
Dipole, Da:	3.6
IP(EA), eV:	-8.96(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3S)-3-[methyl-(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations