Geometry & MOs

Info

ID:

232414

PubChem CID:

87576146

Reduced:

ClS3O6N8H55C70 (1)

Stoich.:

AB3C6D8E55F70 (1)

Weight, g/mol:

492.13722

ΔHf, kcal/mol:

156.55

Dipole, Da:

3.17

IP(EA), eV:

 -8.82(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-bromo-5-ethyl-1-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-oxo-1,7-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=NN=C(S2)SC3=C(N4C(CC3C(C5=CC=CC=C5)C6=CC=CC=C6)C(C4=O)NC(=O)/C(=N/OC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)/C1=C(SC(=N1)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)Cl)C(=O)O

DOS

IR

Vibrations