Geometry & MOs

Info

ID:	147904
PubChem CID:	53787564
Reduced:	NPO8C44H85 (1)
Stoich.:	ABC8D44E85 (1)
Weight, g/mol:	411.116126
ΔH_f, kcal/mol:	-527.92
Dipole, Da:	11.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754615
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(1-aminoethyl)pyrrolidin-1-yl]-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations