Geometry & MOs

Info

ID:

315692

PubChem CID:

126628579

Reduced:

NSCl3O7C48H62 (1)

Stoich.:

ABC3D7E48F62 (1)

Weight, g/mol:

455.270545

ΔHf, kcal/mol:

-339.36

Dipole, Da:

3.15

IP(EA), eV:

 -8.83(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(4R)-2-[(2S,3S,5S)-7-(cyclopentanecarbonyloxy)-3-hydroxy-5,8,8-trimethylnonan-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](C(C)(C)C(=O)N[C@@H](CCC(=O)C)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)OCC(Cl)(Cl)Cl)CC(C(C)(C)C)OC(=O)C4CCCC4

DOS

IR

Vibrations