Geometry & MOs

Info

ID:

38290

PubChem CID:

8029305

Reduced:

ClN3O5C20H22 (1)

Stoich.:

AB3C5D20E22 (1)

Weight, g/mol:

420.11775

ΔHf, kcal/mol:

-208.93

Dipole, Da:

5.16

IP(EA), eV:

 -9.43(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCCN1C(=O)[C@@H]2[C@H]([NH2+][C@]3([C@H]2C1=O)C4=C(C=CC(=C4)Cl)NC3=O)CCC(=O)[O-]

DOS

IR

Vibrations