Geometry & MOs

Info

ID:	45756
PubChem CID:	10517335
Reduced:	O5C15H26 (1)
Stoich.:	A5B15C26 (1)
Weight, g/mol:	286.102751
ΔH_f, kcal/mol:	-250.43
Dipole, Da:	1.04
IP(EA), eV:	-9.87(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(Z)-1-(4-methylphenyl)sulfonylprop-1-enyl]benzene

Drug info:

PubChemData

Smile

CC(=C)[C@](C[C@@H]1COC(O1)(C)C)([C@H]2COC(O2)(C)C)O

DOS

IR

Vibrations