Geometry & MOs

Info

ID:	214533
PubChem CID:	85083161
Reduced:	NPSi2O6C25H48 (1)
Stoich.:	ABC2D6E25F48 (1)
Weight, g/mol:	545.172891
ΔH_f, kcal/mol:	-528.85
Dipole, Da:	9.55
IP(EA), eV:	-8.61(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-chloro-2-[2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CC(=O)NC(CP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)OC)C)C)C

DOS

IR

Vibrations