Geometry & MOs

Info

ID:	424876
PubChem CID:	135124293
Reduced:	CSO2H4 (2)
Stoich.:	ABC2D4 (2)
Weight, g/mol:	442.236876
ΔH_f, kcal/mol:	-196.38
Dipole, Da:	4.42
IP(EA), eV:	-9.69(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methyl-2-phenylpyrazol-3-yl)-7-(1-methylpiperidin-4-yl)oxyspiro[1H-indole-3,1'-cyclobutane]-2-one

Drug info:

PubChemData

Smile

CCO.OS(=O)(=S)O

DOS

IR

Vibrations