Geometry & MOs

Info

ID:

302203

PubChem CID:

124360340

Reduced:

N2O5C20H28 (1)

Stoich.:

A2B5C20D28 (1)

Weight, g/mol:

445.203528

ΔHf, kcal/mol:

-238.38

Dipole, Da:

9.34

IP(EA), eV:

 -9.71(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9bS)-2,2-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl]-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)NC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

DOS

IR

Vibrations