Geometry & MOs

Info

ID:

34881

PubChem CID:

7979048

Reduced:

SN3O4C21H25 (1)

Stoich.:

AB3C4D21E25 (1)

Weight, g/mol:

415.156577

ΔHf, kcal/mol:

-135.89

Dipole, Da:

8.91

IP(EA), eV:

 -9.48(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations