Geometry & MOs

Info

ID:	434423
PubChem CID:	135174909
Reduced:	ON3C26H47 (1)
Stoich.:	AB3C26D47 (1)
Weight, g/mol:	293.111936
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	2.75
IP(EA), eV:	-8.11(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[3-(1-methylsulfinothioylazetidin-3-yl)oxypropoxy]butan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(C)(C)OCC(C(C)(C)N)N2CCN(CC2)C(C)(C)C

DOS

IR

Vibrations