Geometry & MOs

Info

ID:

220756

PubChem CID:

85238796

Reduced:

SO2C9H12 (1)

Stoich.:

AB2C9D12 (1)

Weight, g/mol:

190.09938

ΔHf, kcal/mol:

-40.24

Dipole, Da:

1.07

IP(EA), eV:

-9.1(-0.51)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-(3-methyloxiran-2-yl)-3-phenylprop-2-en-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C=CSCCC#C

DOS

IR

Vibrations