Geometry & MOs

Info

ID:	267036
PubChem CID:	103580504
Reduced:	ClNS2O3C10H12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-100.47
Dipole, Da:	2.79
IP(EA), eV:	-9.12(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(N=C(S1)SCC2CCCO2)Cl

DOS

IR

Vibrations