Geometry & MOs

Info

ID:

397688

PubChem CID:

135030579

Reduced:

NSiO4C28H47 (1)

Stoich.:

ABC4D28E47 (1)

Weight, g/mol:

333.194008

ΔHf, kcal/mol:

-223.08

Dipole, Da:

4.82

IP(EA), eV:

 -8.54(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,5S)-3-[[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-5-[(1R)-1-hydroxyethyl]-1-methylpyrrolidine-2,4-dione

Drug info:

PubChemData

Smile

C/C=C/C=C/CCCC/C=C/C(=C\1/C(=O)[C@@H](N(C1=O)C)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)/O

DOS

IR

Vibrations