Geometry & MOs

Info

ID:	135939
PubChem CID:	51957064
Reduced:	SCl2O4N5H17C18 (1)
Stoich.:	AB2C4D5E17F18 (1)
Weight, g/mol:	468.030006
ΔH_f, kcal/mol:	-57.12
Dipole, Da:	5.68
IP(EA), eV:	-8.64(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]azanide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C=C(C=N2)NS(=O)(=O)C3=CC=C(C=C3)N4C(=O)C(=C(C=N4)Cl)Cl

DOS

IR

Vibrations