Geometry & MOs

Info

ID:	46831
PubChem CID:	10527684
Reduced:	NOS2H23C28 (1)
Stoich.:	ABC2D23E28 (1)
Weight, g/mol:	453.146677
ΔH_f, kcal/mol:	81.14
Dipole, Da:	3.77
IP(EA), eV:	-8.28(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-chloro-7-(4-ethoxycarbonyl-3-methylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(SC4=CC=CC=C4)SC5=CC=CC=C5

DOS

IR

Vibrations