Geometry & MOs

Info

ID:	380966
PubChem CID:	134971578
Reduced:	SN2O3C26H36 (1)
Stoich.:	AB2C3D26E36 (1)
Weight, g/mol:	292.113316
ΔH_f, kcal/mol:	-95.26
Dipole, Da:	5.5
IP(EA), eV:	-8.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[(S)-(4-methylphenyl)sulfinyl]methyl]-1,4-dioxaspiro[4.5]dec-7-ene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@@](=O)CC23CN(CC2[C@H](C(N3)COC(C)(C)C)O)CC4=CC=CC=C4

DOS

IR

Vibrations