Geometry & MOs

Info

ID:

302270

PubChem CID:

124360962

Reduced:

SO3N4C29H32 (1)

Stoich.:

AB3C4D29E32 (1)

Weight, g/mol:

465.208613

ΔHf, kcal/mol:

-75.79

Dipole, Da:

8.5

IP(EA), eV:

 -8.3(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NC1CCCC1)NC(=O)[C@H]2CC3=C([C@@H]4N2C(=O)C5=CC=CC=C45)NC6=CC=CC=C36

DOS

IR

Vibrations