Geometry & MOs

Info

ID:	138800
PubChem CID:	52426606
Reduced:	SO4N5C26H33 (1)
Stoich.:	AB4C5D26E33 (1)
Weight, g/mol:	372.054183
ΔH_f, kcal/mol:	-100.62
Dipole, Da:	7.77
IP(EA), eV:	-8.8(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S,4S)-2-[4-(1,3-benzodioxole-5-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(C(=NN3[C@H]4CCS(=O)(=O)C4)C)C(=C2)C(=O)NCCCN5CCOCC5

DOS

IR

Vibrations