Geometry & MOs

Info

ID:	448721
PubChem CID:	135293009
Reduced:	SO5C10H12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	496.118082
ΔH_f, kcal/mol:	-196.84
Dipole, Da:	6.37
IP(EA), eV:	-9.55(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[8-hydroxy-5-(2-phenoxyphenyl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile

Drug info:

PubChemData

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C1[C@H]([C@@H](O[C@H]1O)COC(=O)C2=CC=CS2)O

DOS

IR

Vibrations