Geometry & MOs

Info

ID:

313467

PubChem CID:

126614892

Reduced:

ClSN2O2H19C23 (1)

Stoich.:

ABC2D2E19F23 (1)

Weight, g/mol:

464.026742

ΔHf, kcal/mol:

-19.35

Dipole, Da:

7.45

IP(EA), eV:

 -8.68(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(dihydroxymethyl)-3-hydroxyphenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C(=CC=C2)Cl)C)C)/C=C/3\C(=O)N(C(=O)S3)C4=CC=CC=C4

DOS

IR

Vibrations