Geometry & MOs

Info

ID:	184741
PubChem CID:	77201683
Reduced:	F3N4O7C26H33 (1)
Stoich.:	A3B4C7D26E33 (1)
Weight, g/mol:	474.180013
ΔH_f, kcal/mol:	-334.17
Dipole, Da:	5.24
IP(EA), eV:	-9.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[1-(tert-butylsulfinylamino)-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CNC(=O)N3CCOCC3)C(CC4=CC(=C(C=C4F)F)F)N.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations