Geometry & MOs

Info

ID:	201981
PubChem CID:	79612916
Reduced:	FNSO3C15H22 (1)
Stoich.:	ABCD3E15F22 (1)
Weight, g/mol:	296.209993
ΔH_f, kcal/mol:	-166.32
Dipole, Da:	3.76
IP(EA), eV:	-9.52(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-(hexan-2-ylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(CC1CCCN(C1)S(=O)(=O)C)(C2=CC=CC=C2F)O

DOS

IR

Vibrations