Geometry & MOs

Info

ID:

84406

PubChem CID:

49866298

Reduced:

ClO13C24H29 (1)

Stoich.:

AB13C24D29 (1)

Weight, g/mol:

513.089197

ΔHf, kcal/mol:

-532.33

Dipole, Da:

4.78

IP(EA), eV:

 -9.15(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S)-5-methyl-4-(2-methylpropyl)-1,1,3-trioxo-1,2,5-thiadiazolidin-2-yl]methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

Drug info:

PubChemData

Smile

C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]([C@]2(CO)O)Cl)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O

DOS

IR

Vibrations