Geometry & MOs

Info

ID:

395457

PubChem CID:

135025519

Reduced:

Si2O6C37H68 (1)

Stoich.:

A2B6C37D68 (1)

Weight, g/mol:

405.142367

ΔHf, kcal/mol:

-406.27

Dipole, Da:

2.59

IP(EA), eV:

 -8.77(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-O-ethyl 1-O-methyl (1R,2S,3S)-3-[(Z)-3-methoxy-3-oxoprop-1-enyl]-1-(phenylmethoxycarbonylamino)cyclopropane-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@@]1(CC[C@@H](O[C@@H]1C/C=C/[C@H]([C@@H](C)CO[Si](C)(C)C(C)(C)C)O)[C@](C)(CCOCC2=CC=CC=C2)OC)C

DOS

IR

Vibrations