Geometry & MOs

Info

ID:	61261
PubChem CID:	26707521
Reduced:	BrFSN2O3H16C19 (1)
Stoich.:	ABCD2E3F16G19 (1)
Weight, g/mol:	438.096203
ΔH_f, kcal/mol:	-81.07
Dipole, Da:	4.55
IP(EA), eV:	-8.95(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C(=C2)OC)Br)OC)C3=CC=C(C=C3)F

DOS

IR

Vibrations