Geometry & MOs

Info

ID:	322127
PubChem CID:	126668771
Reduced:	ON2C8H14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	545.232599
ΔH_f, kcal/mol:	-44.53
Dipole, Da:	4.37
IP(EA), eV:	-9.3(2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4R,6S,8S,11R)-7-(1,3-benzodioxol-5-ylmethylamino)-4-ethenyl-2-(5-fluoropyridine-2-carbonyl)-8-methyl-2-azabicyclo[4.4.1]undec-9-yn-11-yl] cyclopropanecarboxylate

Drug info:

PubChemData

Smile

C1C2CC3C([C@H](C1N3)O)NC2

DOS

IR

Vibrations