Geometry & MOs

Info

ID:	396985
PubChem CID:	135029543
Reduced:	ClSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	320.063779
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	2.68
IP(EA), eV:	-8.98(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl) (3S)-3-benzylsulfanylbutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations