Geometry & MOs

Info

ID:	407001
PubChem CID:	135079094
Reduced:	BrSi2O3C26H47 (1)
Stoich.:	AB2C3D26E47 (1)
Weight, g/mol:	438.183109
ΔH_f, kcal/mol:	-220.78
Dipole, Da:	1.04
IP(EA), eV:	-8.79(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 2-[(E)-3-phenylprop-2-enyl]-2-prop-2-ynylpropanedioate

Drug info:

PubChemData

Smile

C[C@]1(C2CC=C[C@@]([C@H]2CO[Si](C)(C)C(C)(C)C)(O1)C[C@H](C#C)O[Si](C)(C)C(C)(C)C)CBr

DOS

IR

Vibrations