Geometry & MOs

Info

ID:	402175
PubChem CID:	135054722
Reduced:	SiO5C21H32 (1)
Stoich.:	AB5C21D32 (1)
Weight, g/mol:	488.172956
ΔH_f, kcal/mol:	-258.49
Dipole, Da:	1.56
IP(EA), eV:	-8.77(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)-3-methoxy-3-oxo-1-phenylpropyl]-(4-nitrophenyl)sulfonylazanide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1=CC=CC=C1C(/C=C\CC(=O)OC)C(=O)OC

DOS

IR

Vibrations