Geometry & MOs

Info

ID:	57589
PubChem CID:	22425629
Reduced:	ClSO2N3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	188.017497
ΔH_f, kcal/mol:	-23.81
Dipole, Da:	5.32
IP(EA), eV:	-9.52(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-propan-2-ylsulfanylpyridazine

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC3=NC=C(N=C3C=C2)Cl

DOS

IR

Vibrations