Geometry & MOs

Info

ID:	144247
PubChem CID:	53337673
Reduced:	NSO4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	452.06147
ΔH_f, kcal/mol:	-109.66
Dipole, Da:	4.7
IP(EA), eV:	-10.63(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-4-methylphenyl)-2-[5-chloro-4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)CS(=O)(=O)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations