Geometry & MOs

Info

ID:	419536
PubChem CID:	135108392
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	-1.7
Dipole, Da:	6.44
IP(EA), eV:	-8.97(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane

Drug info:

PubChemData

Smile

CNC1=NC(=CS1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations