Geometry & MOs

Info

ID:	125069
PubChem CID:	50908697
Reduced:	NO2S2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	390.173282
ΔH_f, kcal/mol:	-11.39
Dipole, Da:	5.31
IP(EA), eV:	-9.24(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-7-[4-(3-(18F)fluoranylpropyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC(=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations