Geometry & MOs

Info

ID:	396982
PubChem CID:	135029540
Reduced:	SO2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	300.118401
ΔH_f, kcal/mol:	-56.14
Dipole, Da:	2.29
IP(EA), eV:	-8.88(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl) (3S)-3-benzylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(=O)C[C@H](C)SCC2=CC=CC=C2

DOS

IR

Vibrations