Geometry & MOs

Info

ID:

302223

PubChem CID:

124360360

Reduced:

O2N3C23H29 (1)

Stoich.:

A2B3C23D29 (1)

Weight, g/mol:

429.208613

ΔHf, kcal/mol:

-72.33

Dipole, Da:

5.63

IP(EA), eV:

 -8.5(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)NC1=CC=CC(=C1)C)NC(=O)[C@@H]2CC3=CC=CC=C3CN2

DOS

IR

Vibrations