Geometry & MOs

Info

ID:	391080
PubChem CID:	135002675
Reduced:	SN2O4H16C19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	284.09776
ΔH_f, kcal/mol:	-64.59
Dipole, Da:	5.28
IP(EA), eV:	-8.75(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E,3E)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C(=O)O2)C(CO)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations