Geometry & MOs

Info

ID:	390890
PubChem CID:	135001455
Reduced:	SO3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	390.138482
ΔH_f, kcal/mol:	-108.38
Dipole, Da:	3.51
IP(EA), eV:	-9.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(2-diphenylphosphanylethoxy)ethenyl]benzoate

Drug info:

PubChemData

Smile

CC(CC1=CC=C(S1)CC(=O)OC)C=O

DOS

IR

Vibrations