Geometry & MOs

Info

ID:	305864
PubChem CID:	124971685
Reduced:	SN3O4C12H17 (1)
Stoich.:	AB3C4D12E17 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	-106.2
Dipole, Da:	5.87
IP(EA), eV:	-9.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-2-[(4-methylphenyl)methyl]-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octane

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)[C@@H]2COCCN2C(=O)C3CC3

DOS

IR

Vibrations