Geometry & MOs

Info

ID:	229174
PubChem CID:	87567115
Reduced:	ClN2O3F4H11C15 (1)
Stoich.:	AB2C3D4E11F15 (1)
Weight, g/mol:	422.186652
ΔH_f, kcal/mol:	-263.56
Dipole, Da:	3.54
IP(EA), eV:	-9.89(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-4-amino-3-[5-(4-ethyl-4-oxidopiperazin-4-ium-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-5-fluoroquinolin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CCC2=CN=C(C=N2)Cl)OC(F)F)OC(F)F

DOS

IR

Vibrations