Geometry & MOs

Info

ID:	401026
PubChem CID:	135049811
Reduced:	SO3C19H22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	408.110292
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	5.55
IP(EA), eV:	-9.09(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-diethoxyphosphoryloxy-1-phenylethenyl] diethyl phosphate

Drug info:

PubChemData

Smile

CCC(/C=C/OCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations