Geometry & MOs

Info

ID:	314898
PubChem CID:	126623942
Reduced:	FO2N6H21C22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	447.00997
ΔH_f, kcal/mol:	-14.12
Dipole, Da:	5.09
IP(EA), eV:	-9.2(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-bromo-3-methylpyridin-2-yl)carbamoyl]-5-(methylsulfonyloxymethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4CC#N)F

DOS

IR

Vibrations