Geometry & MOs

Info

ID:	321342
PubChem CID:	126665840
Reduced:	O3F4N4H26C29 (1)
Stoich.:	A3B4C4D26E29 (1)
Weight, g/mol:	458.081554
ΔH_f, kcal/mol:	-192.25
Dipole, Da:	3.85
IP(EA), eV:	-9.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(CCC4CC4)(C5=CC=CC=N5)O)F

DOS

IR

Vibrations