Geometry & MOs

Info

ID:

34910

PubChem CID:

7979078

Reduced:

SN2O4C22H28 (1)

Stoich.:

AB2C4D22E28 (1)

Weight, g/mol:

416.176979

ΔHf, kcal/mol:

-171.48

Dipole, Da:

4.02

IP(EA), eV:

 -9.31(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-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]1CCCC[C@@H]1NC(=O)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations