Geometry & MOs

Info

ID:	46598
PubChem CID:	10525475
Reduced:	NO2S2C22H33 (1)
Stoich.:	AB2C2D22E33 (1)
Weight, g/mol:	407.141197
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	2.56
IP(EA), eV:	-8.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate;chloride

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](C)N=C(SC)SC)C(C)(C)C2=CC=CC=C2

DOS

IR

Vibrations