Geometry & MOs

Info

ID:	321414
PubChem CID:	126665975
Reduced:	F3O4N5C34H36 (1)
Stoich.:	A3B4C5D34E36 (1)
Weight, g/mol:	444.065904
ΔH_f, kcal/mol:	-217.79
Dipole, Da:	4.25
IP(EA), eV:	-9.26(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[1-(4-chlorophenyl)ethyl]-3-methyl-4-oxo-[1,2]oxazolo[4,5-d]pyridazin-7-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC(C1=CC=CC=C1)(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)O)C5CC5

DOS

IR

Vibrations