Geometry & MOs

Info

ID:	268928
PubChem CID:	103602265
Reduced:	SN2O4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	340.98336
ΔH_f, kcal/mol:	-161.23
Dipole, Da:	4.51
IP(EA), eV:	-9.72(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)CNC(=O)C1=CC=CS1

DOS

IR

Vibrations