Geometry & MOs

Info

ID:	269985
PubChem CID:	103621711
Reduced:	BrClSN2O3H10C13 (1)
Stoich.:	ABCD2E3F10G13 (1)
Weight, g/mol:	307.062677
ΔH_f, kcal/mol:	-74.28
Dipole, Da:	7.73
IP(EA), eV:	-9.64(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(6-methylsulfonylpyridin-3-yl)-2-oxopyridine-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations