Geometry & MOs

Info

ID:

222925

PubChem CID:

85333187

Reduced:

N7O10C28H39 (1)

Stoich.:

A7B10C28D39 (1)

Weight, g/mol:

635.323146

ΔHf, kcal/mol:

-434.93

Dipole, Da:

8.42

IP(EA), eV:

 -8.91(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-7-[4-[5-[4-(3-ethyl-4-methylanilino)-2,6-dioxo-1,3-diazinan-1-yl]pentyl]piperazin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)N3CC(CC3C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)N)O

DOS

IR

Vibrations