Geometry & MOs

Info

ID:	386439
PubChem CID:	134981754
Reduced:	F3O3H15C17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	332.054087
ΔH_f, kcal/mol:	-243.63
Dipole, Da:	3.8
IP(EA), eV:	-9.65(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E,3E)-4-(benzenesulfonyl)buta-1,3-dienyl]sulfinyl-4-methylbenzene

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C2COCC2C1)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations