Geometry & MOs

Info

ID:	124935
PubChem CID:	50904707
Reduced:	Br2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	464.198108
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	1.61
IP(EA), eV:	-10.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 4-morpholin-4-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC(=O)O[C@]12C[C@H]3[C@H]4[C@@H]1[C@@H]5[C@H](C4)[C@H]3[C@H]2C5(Br)Br

DOS

IR

Vibrations