Geometry & MOs

Info

ID:	45985
PubChem CID:	10520030
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	324.13953
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	4.74
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-[(R)-(4-methylphenyl)sulfinyl]butan-2-one

Drug info:

PubChemData

Smile

C1CC(C1)CN(C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)CN

DOS

IR

Vibrations