Geometry & MOs

Info

ID:	396986
PubChem CID:	135029544
Reduced:	ClSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	316.113316
ΔH_f, kcal/mol:	-57.07
Dipole, Da:	2.21
IP(EA), eV:	-8.98(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl) (3S)-3-benzylsulfanylbutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations