Geometry & MOs

Info

ID:	141311
PubChem CID:	52858356
Reduced:	FSO2N4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	359.148121
ΔH_f, kcal/mol:	-41.56
Dipole, Da:	5.23
IP(EA), eV:	-8.78(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)F)N2CCN(CC2)C)NS(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations