Geometry & MOs

Info

ID:	282130
PubChem CID:	103916544
Reduced:	NF2S2O3H11C12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	284.01604
ΔH_f, kcal/mol:	-158.9
Dipole, Da:	3.15
IP(EA), eV:	-9.26(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-cyclopentyloxypyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)NCC(C2=CSC=C2)O)F)F

DOS

IR

Vibrations