Geometry & MOs

Info

ID:	127610
PubChem CID:	51008363
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	474.143628
ΔH_f, kcal/mol:	-131.14
Dipole, Da:	5.87
IP(EA), eV:	-9.45(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-N-[(1S,5R)-3-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-4-oxo-2-bicyclo[3.2.1]oct-2-enyl]ethanesulfonamide

Drug info:

PubChemData

Smile

CC(=CC[C@H]1C[C@H]2C(=CC(=O)[C@H](C2=O)C1(C)C)O)C

DOS

IR

Vibrations