Geometry & MOs

Info

ID:	167019
PubChem CID:	74766348
Reduced:	BrSO3N4C14H15 (1)
Stoich.:	ABC3D4E14F15 (1)
Weight, g/mol:	424.136925
ΔH_f, kcal/mol:	-15.42
Dipole, Da:	6.52
IP(EA), eV:	-8.89(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-4-[4-fluoro-3-(4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CSC2=N/C(=C\3/C=C(C=CC3=O)Br)/NN2

DOS

IR

Vibrations