Geometry & MOs

Info

ID:	423512
PubChem CID:	135119643
Reduced:	SF2N2O5C15H20 (1)
Stoich.:	AB2C2D5E15F20 (1)
Weight, g/mol:	325.163771
ΔH_f, kcal/mol:	-279.66
Dipole, Da:	7.47
IP(EA), eV:	-9.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-hydroxy-4-(hydroxymethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=C(C=C(C=C2F)OC)F

DOS

IR

Vibrations