Geometry & MOs

Info

ID:	43478
PubChem CID:	10321362
Reduced:	FN2O2C28H31 (1)
Stoich.:	AB2C2D28E31 (1)
Weight, g/mol:	446.187543
ΔH_f, kcal/mol:	-78.22
Dipole, Da:	2.85
IP(EA), eV:	-8.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2S,5S)-3-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations