Geometry & MOs

Info

ID:	127944
PubChem CID:	51024076
Reduced:	SF3O5C28H43 (1)
Stoich.:	AB3C5D28E43 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-433.06
Dipole, Da:	2.87
IP(EA), eV:	-9.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2(C(C3C(O2)CC4[C@@]3(CCC5C4CCC6[C@@]5(CC[C@@H](C6)OS(=O)(=O)C(F)(F)F)C)C)C)OC1

DOS

IR

Vibrations