Geometry & MOs

Info

ID:	13700
PubChem CID:	397004
Reduced:	SN2O6C28H32 (1)
Stoich.:	AB2C6D28E32 (1)
Weight, g/mol:	524.198108
ΔH_f, kcal/mol:	-163.06
Dipole, Da:	6.12
IP(EA), eV:	-8.28(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6R)-2-[2-(benzenesulfonyl)prop-2-enyl]-6-(1H-indol-2-yl)-7,8-dimethoxy-2-azabicyclo[2.2.2]octane-6-carboxylate

Drug info:

PubChemData

Smile

COC1C2C[C@@](C(C1OC)N(C2)CC(=C)S(=O)(=O)C3=CC=CC=C3)(C4=CC5=CC=CC=C5N4)C(=O)OC

DOS

IR

Vibrations