Geometry & MOs

Info

ID:	191997
PubChem CID:	78212216
Reduced:	BrOSN2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	239.061614
ΔH_f, kcal/mol:	-22.06
Dipole, Da:	4.97
IP(EA), eV:	-9.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-acetyl-6-methyl-2-sulfanylidene-3H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CNC(NC1=O)SCC2=CC(=CC=C2)Br

DOS

IR

Vibrations