Geometry & MOs

Info

ID:	322015
PubChem CID:	126668273
Reduced:	SO3C10H16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	392.192292
ΔH_f, kcal/mol:	-124.62
Dipole, Da:	3.79
IP(EA), eV:	-10.33(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R,4S,9R)-3-ethenyl-4-hydroxy-6-(3,3,3-trifluoropropanoyl)-6-azabicyclo[3.2.2]nonan-9-yl]carbamate

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1CC2CC(C1)[C@@H]3[C@H]2C3

DOS

IR

Vibrations