Geometry & MOs

Info

ID:

293963

PubChem CID:

117420318

Reduced:

SO3C14H18 (1)

Stoich.:

AB3C14D18 (1)

Weight, g/mol:

266.097666

ΔHf, kcal/mol:

-75.71

Dipole, Da:

4.88

IP(EA), eV:

-8.8(-0.08)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propan-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC2CSC2)CC3(CC3)O

DOS

IR

Vibrations