Geometry & MOs

Info

ID:

427573

PubChem CID:

135160125

Reduced:

O2C24H25 (2)

Stoich.:

A2B24C25 (2)

Weight, g/mol:

476.183539

ΔHf, kcal/mol:

-92.37

Dipole, Da:

4.39

IP(EA), eV:

 -8.62(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,8-difluoro-1-(2-fluoroethyl)-N-(3-fluoro-4-methylphenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)C(C)(CCC(C)(C2=CC(=C(C=C2)O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)C5=CC=CC=C5)C6=CC(=C(C=C6)O)C(C)C)O

DOS

IR

Vibrations