Geometry & MOs

Info

ID:	413986
PubChem CID:	135086939
Reduced:	ClPO5C19H22 (1)
Stoich.:	ABC5D19E22 (1)
Weight, g/mol:	300.082016
ΔH_f, kcal/mol:	-227.25
Dipole, Da:	3.84
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-methylphenyl)sulfonyl-4-phenylbut-3-enal

Drug info:

PubChemData

Smile

CCOP(=O)(C(C(=O)C1=CC=CC=C1Cl)OCC2=CC=CC=C2)OCC

DOS

IR

Vibrations