Geometry & MOs

Info

ID:	59076
PubChem CID:	24770780
Reduced:	SF3N3O6C30H30 (1)
Stoich.:	AB3C3D6E30F30 (1)
Weight, g/mol:	349.127385
ΔH_f, kcal/mol:	-277.13
Dipole, Da:	5.82
IP(EA), eV:	-9.09(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-4-[(1R,4R)-4-methoxy-2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1C[C@H](N([C@H](C1)C2(CC2)OC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)S(=O)(=O)C5=CC(=C(C=C5)F)F)C6=CC(=CC=C6)F

DOS

IR

Vibrations