Geometry & MOs

Info

ID:

180093

PubChem CID:

76575697

Reduced:

OSN4C18H26 (1)

Stoich.:

ABC4D18E26 (1)

Weight, g/mol:

507.332174

ΔHf, kcal/mol:

-25.42

Dipole, Da:

10.96

IP(EA), eV:

 -9.25(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-methyl-5-oxo-2-(pyridin-2-ylmethylamino)-N-(2-pyrrolidin-1-ylethyl)-1,2,3,4,4a,7a,8,9,10,11,11a,12a-dodecahydrobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC1CCC2C(N1)N3C4CCCCC4SC3=C(C2=O)C#N

DOS

IR

Vibrations