Geometry & MOs

Info

ID:

302324

PubChem CID:

124361239

Reduced:

SN3O4C24H27 (1)

Stoich.:

AB3C4D24E27 (1)

Weight, g/mol:

449.177313

ΔHf, kcal/mol:

-134.57

Dipole, Da:

5.73

IP(EA), eV:

 -9.43(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9bR)-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CO)NC(=O)[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations