Geometry & MOs

Info

ID:

302248

PubChem CID:

124360890

Reduced:

N3O7C18H19 (1)

Stoich.:

A3B7C18D19 (1)

Weight, g/mol:

475.250478

ΔHf, kcal/mol:

-278.61

Dipole, Da:

7.09

IP(EA), eV:

 -9.86(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCC(=O)N[C@@H](CC(=O)O)C(=O)O

DOS

IR

Vibrations