Geometry & MOs

Info

ID:	140508
PubChem CID:	52712249
Reduced:	FSN2O3C24H25 (1)
Stoich.:	ABC2D3E24F25 (1)
Weight, g/mol:	330.069258
ΔH_f, kcal/mol:	-115.95
Dipole, Da:	5.56
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chloro-1,3-benzodioxol-5-yl)methyl (2R)-2-butylsulfanylpropanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)F

DOS

IR

Vibrations