Geometry & MOs

Info

ID:	55653
PubChem CID:	17395743
Reduced:	F2N4O4H20C21 (1)
Stoich.:	A2B4C4D20E21 (1)
Weight, g/mol:	419.027745
ΔH_f, kcal/mol:	-209.55
Dipole, Da:	8.68
IP(EA), eV:	-9.15(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-6-methyl-4-oxo-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CNC(=O)C3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations