Geometry & MOs

Info

ID:	314733
PubChem CID:	126622909
Reduced:	O3F4N5C10H11 (1)
Stoich.:	A3B4C5D10E11 (1)
Weight, g/mol:	369.03242
ΔH_f, kcal/mol:	-276.97
Dipole, Da:	7.3
IP(EA), eV:	-10.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-bromo-4-methoxypyridin-2-yl)carbamoyl]-5-methyl-2-azabicyclo[3.1.0]hexane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=NN(C=N2)CC(F)(F)F)C(=O)O)F

DOS

IR

Vibrations