Geometry & MOs

Info

ID:	47093
PubChem CID:	10529525
Reduced:	SiO5C29H48 (1)
Stoich.:	AB5C29D48 (1)
Weight, g/mol:	504.17506
ΔH_f, kcal/mol:	-301.9
Dipole, Da:	3.46
IP(EA), eV:	-8.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1E)-N-[3-(4-chlorophenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C/C(=C/C=C/C(=O)OCC)/[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations