Geometry & MOs

Info

ID:	396987
PubChem CID:	135029545
Reduced:	SO3C18H20 (1)
Stoich.:	AB3C18D20 (1)
Weight, g/mol:	358.12388
ΔH_f, kcal/mol:	-86.45
Dipole, Da:	1.35
IP(EA), eV:	-8.71(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3S)-3-benzylsulfanylbutanoyl]oxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)OC1=CC=C(C=C1)OC)SCC2=CC=CC=C2

DOS

IR

Vibrations