Geometry & MOs

Info

ID:	141664
PubChem CID:	52910586
Reduced:	SO4N5C25H34 (1)
Stoich.:	AB4C5D25E34 (1)
Weight, g/mol:	358.76152
ΔH_f, kcal/mol:	-127.61
Dipole, Da:	7.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.970456
Charge, e:	0

Chem-info

IUPAC name:

2,3,6-tribromopyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCCC(=O)NCCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

DOS

IR

Vibrations