Geometry & MOs

Info

ID:

49836

PubChem CID:

11533937

Reduced:

F2O7C29H40 (1)

Stoich.:

A2B7C29D40 (1)

Weight, g/mol:

538.144358

ΔHf, kcal/mol:

-424.76

Dipole, Da:

3.43

IP(EA), eV:

 -10.26(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 2-acetamido-2-(4-benzoyloxy-4-cyano-2-ethoxycarbothioylsulfanylbutyl)propanedioate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)OC(=O)OC(C(C)C)C(C)C)C)O)F)C)F

DOS

IR

Vibrations