Geometry & MOs

Info

ID:	135937
PubChem CID:	51957062
Reduced:	FSN3O3C14H16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	468.030006
ΔH_f, kcal/mol:	-100.7
Dipole, Da:	3.34
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-[1-[[(2S)-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=CC=C3F

DOS

IR

Vibrations