Geometry & MOs

Info

ID:

163164

PubChem CID:

57646678

Reduced:

ClO3N4H15C24 (1)

Stoich.:

AB3C4D15E24 (1)

Weight, g/mol:

465.028698

ΔHf, kcal/mol:

61.83

Dipole, Da:

6.53

IP(EA), eV:

 -9.07(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-aminoperoxysulfanylphenyl)-3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC\1=C(C2=NC(=C(C(=C2/C1=C/C3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)C)[N+]#[C-])N)C#N

DOS

IR

Vibrations