Geometry & MOs

Info

ID:	23145
PubChem CID:	602429
Reduced:	PSO5C14H27 (1)
Stoich.:	ABC5D14E27 (1)
Weight, g/mol:	338.131682
ΔH_f, kcal/mol:	-320.3
Dipole, Da:	4.36
IP(EA), eV:	-9.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-dibutoxyphosphorylsulfanylbut-2-enoate

Drug info:

PubChemData

Smile

CCCCOP(=O)(OCCCC)SC(=CC(=O)OCC)C

DOS

IR

Vibrations