Geometry & MOs

Info

ID:	315010
PubChem CID:	126624169
Reduced:	ClFO4H18C20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	517.283966
ΔH_f, kcal/mol:	-177.01
Dipole, Da:	7.72
IP(EA), eV:	-9.65(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-[[2-cyclopropyl-4-(2-ethoxycarbonylcyclopentanecarbonyl)-5-fluorophenoxy]methyl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(C1)C(=O)O)C(=O)C2=CC(=C(C=C2F)OCC3=CC=CC=C3)Cl

DOS

IR

Vibrations