Geometry & MOs

Info

ID:	175767
PubChem CID:	75944837
Reduced:	SO2F3N3C19H23 (1)
Stoich.:	AB2C3D3E19F23 (1)
Weight, g/mol:	365.11757
ΔH_f, kcal/mol:	-148.85
Dipole, Da:	5.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752109
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)N2CC[NH+](CC2)C)NS(=O)(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations