Geometry & MOs

Info

ID:	243288
PubChem CID:	99218191
Reduced:	ClFSO2N3H15C20 (1)
Stoich.:	ABCD2E3F15G20 (1)
Weight, g/mol:	444.025931
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	8.66
IP(EA), eV:	-9.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations