Geometry & MOs

Info

ID:

159645

PubChem CID:

57288575

Reduced:

S2N6O6C35H44 (1)

Stoich.:

A2B6C6D35E44 (1)

Weight, g/mol:

561.9708

ΔHf, kcal/mol:

-150.33

Dipole, Da:

7.72

IP(EA), eV:

 -8.97(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 3-(3,4-dibromophenoxy)propanoate

Drug info:

PubChemData

Smile

CC(C)C1=NSC(=C1)COC(=O)NC(C(C)C)C(=O)N([C@@H](CC2=CC=CC=C2)[C@H](CNCC3=CC=CC=C3)O)NC(=O)OCC4=CN=CS4

DOS

IR

Vibrations