Geometry & MOs

Info

ID:

396132

PubChem CID:

135027516

Reduced:

Si3O6C37H72 (1)

Stoich.:

A3B6C37D72 (1)

Weight, g/mol:

540.90115

ΔHf, kcal/mol:

-485.68

Dipole, Da:

1.86

IP(EA), eV:

 -8.76(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloro-N-[(1R,4S,5S)-4,5-dibromo-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethenyl-4-methylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@H](C[C@@H]([C@@H](C)C(=O)OCC1=CC=CC=C1)O[Si](C)(C)C(C)(C)C)[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)OC

DOS

IR

Vibrations