Geometry & MOs

Info

ID:	252327
PubChem CID:	103110598
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	349.0062
ΔH_f, kcal/mol:	-20.64
Dipole, Da:	7.58
IP(EA), eV:	-8.47(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNS(=O)(=O)C2=CN(N=C2)C

DOS

IR

Vibrations