Geometry & MOs

Info

ID:

302244

PubChem CID:

124360862

Reduced:

N3O5C23H23 (1)

Stoich.:

A3B5C23D23 (1)

Weight, g/mol:

479.224263

ΔHf, kcal/mol:

-172.2

Dipole, Da:

9.22

IP(EA), eV:

 -9.86(-0.31)

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-[[(1S)-1-phenylethyl]amino]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](CC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations