Geometry & MOs

Info

ID:	137438
PubChem CID:	52208634
Reduced:	OSN4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	439.02014
ΔH_f, kcal/mol:	76.42
Dipole, Da:	7.72
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C2[C@@H](SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations