Geometry & MOs

Info

ID:

176293

PubChem CID:

76028244

Reduced:

SO3N6C24H34 (1)

Stoich.:

AB3C6D24E34 (1)

Weight, g/mol:

498.331839

ΔHf, kcal/mol:

-100.56

Dipole, Da:

6.8

IP(EA), eV:

 -8.96(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)-7-methyl-5-oxo-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

CN1C=CN=C1CNC(=O)C2=C3N(C4CCCCC4S3)C5C(C2=O)CCC(N5)N6CCOCC6

DOS

IR

Vibrations