Geometry & MOs

Info

ID:

313493

PubChem CID:

126614999

Reduced:

BrFSN2O2H16C22 (1)

Stoich.:

ABCD2E2F16G22 (1)

Weight, g/mol:

440.089821

ΔHf, kcal/mol:

-42.23

Dipole, Da:

7.46

IP(EA), eV:

 -8.73(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(5E)-4-hydroxy-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations