Geometry & MOs

Info

ID:	317555
PubChem CID:	126643399
Reduced:	ClON2F3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	339.02185
ΔH_f, kcal/mol:	-153.92
Dipole, Da:	3.65
IP(EA), eV:	-9.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](NCC1(F)F)C(=O)NC2=CC=CC(=C2F)C3=CC=CC=C3Cl

DOS

IR

Vibrations