Geometry & MOs

Info

ID:	408035
PubChem CID:	135080790
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	348.00448
ΔH_f, kcal/mol:	-136.98
Dipole, Da:	3.45
IP(EA), eV:	-9.4(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-[(E)-1-iodohex-1-enyl]sulfinyl]-4-methylbenzene

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)[C@@](C)(C1=CC=C(C=C1)Cl)O

DOS

IR

Vibrations