Geometry & MOs

Info

ID:

35226

PubChem CID:

7979539

Reduced:

SN2O4C21H26 (1)

Stoich.:

AB2C4D21E26 (1)

Weight, g/mol:

418.156243

ΔHf, kcal/mol:

-156.44

Dipole, Da:

1.1

IP(EA), eV:

 -9.02(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)COC(=O)[C@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations