Geometry & MOs

Info

ID:	318770
PubChem CID:	126653084
Reduced:	N2F3O4C28H33 (1)
Stoich.:	A2B3C4D28E33 (1)
Weight, g/mol:	305.129694
ΔH_f, kcal/mol:	-231.95
Dipole, Da:	7.08
IP(EA), eV:	-8.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S,7R)-6,7-dimethyl-3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[C@H]1C2CC3CC(C1N(C3)C(=O)CC(F)(F)F)N2CC4=CC5=C(C=C4)C=C(C=C5)OC

DOS

IR

Vibrations