Geometry & MOs

Info

ID:	419359
PubChem CID:	135108035
Reduced:	ON5C21H35 (1)
Stoich.:	AB5C21D35 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	-41.08
Dipole, Da:	2.69
IP(EA), eV:	-8.53(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCCCC2)N3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations