Geometry & MOs

Info

ID:	44905
PubChem CID:	10506462
Reduced:	NSi2O5C28H47 (1)
Stoich.:	AB2C5D28E47 (1)
Weight, g/mol:	533.092314
ΔH_f, kcal/mol:	-317.48
Dipole, Da:	3.52
IP(EA), eV:	-8.83(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-1-cyano-4-phenyl-2-(trifluoromethyl)-1-triphenylphosphaniumylbut-3-yn-2-olate

Drug info:

PubChemData

Smile

C/C=C/[C@H]([C@H]1[C@@H]([C@H](N(C1=O)C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C2=CC=CC=C2)O

DOS

IR

Vibrations