Geometry & MOs

Info

ID:

167400

PubChem CID:

74820168

Reduced:

NS2O3H19C25 (1)

Stoich.:

AB2C3D19E25 (1)

Weight, g/mol:

619.173012

ΔHf, kcal/mol:

-12.22

Dipole, Da:

7.77

IP(EA), eV:

 -9.26(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C(=CC3=CC=C(C=C3)C4=CC=CC=C4)SC2=S

DOS

IR

Vibrations