Geometry & MOs

Info

ID:	145304
PubChem CID:	53495428
Reduced:	SO3H16C19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	298.066365
ΔH_f, kcal/mol:	20.88
Dipole, Da:	1.41
IP(EA), eV:	-8.59(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methoxy-3-phenylsulfanylprop-2-ynyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

C=CCOC(C#CSC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations