Geometry & MOs

Info

ID:

186945

PubChem CID:

77508144

Reduced:

N3O5C29H41 (1)

Stoich.:

A3B5C29D41 (1)

Weight, g/mol:

550.132065

ΔHf, kcal/mol:

-185.94

Dipole, Da:

4.2

IP(EA), eV:

 -8.75(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[3-hydroxy-4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)methyl]pyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile;dihydrochloride

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CC(C2C1C(=O)CO2)OCC)NC(=O)C3=CC=C(C=C3)C4CCN(CC4)C5CC5

DOS

IR

Vibrations