Geometry & MOs

Info

ID:	170457
PubChem CID:	75236520
Reduced:	KPC6H8O8 (1)
Stoich.:	ABC6D8E8 (1)
Weight, g/mol:	931.200314
ΔH_f, kcal/mol:	-441.43
Dipole, Da:	7.63
IP(EA), eV:	-9.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylate;4-methyl-2-(4-methylpyridin-2-yl)pyridine;ruthenium(3+);dichloride

Drug info:

PubChemData

Smile

C1=C(C(=O)OC1C(CO)O)OP(=O)(O)[O-].[K+]

DOS

IR

Vibrations