Geometry & MOs

Info

ID:

167401

PubChem CID:

74820169

Reduced:

ClS2N3O3C33H34 (1)

Stoich.:

AB2C3D3E33F34 (1)

Weight, g/mol:

614.100385

ΔHf, kcal/mol:

-37.13

Dipole, Da:

7.19

IP(EA), eV:

 -8.66(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[[4-(2-hydroxyphenyl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)N1C(=O)C(=CC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4C5=CC=C(C=C5)Cl)SC1=S

DOS

IR

Vibrations