Geometry & MOs

Info

ID:	242718
PubChem CID:	99205863
Reduced:	BrClN2S2O3H12C13 (1)
Stoich.:	ABC2D2E3F12G13 (1)
Weight, g/mol:	433.026597
ΔH_f, kcal/mol:	-65.75
Dipole, Da:	5.46
IP(EA), eV:	-9.52(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-ethylamino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN(CC(=O)N)S(=O)(=O)C2=CC=C(S2)Cl)Br

DOS

IR

Vibrations