Geometry & MOs

Info

ID:

165573

PubChem CID:

74568456

Reduced:

O2N4C20H25 (1)

Stoich.:

A2B4C20D25 (1)

Weight, g/mol:

356.002241

ΔHf, kcal/mol:

6.42

Dipole, Da:

11.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.961051

Charge, e:

 -2

Chem-info

IUPAC name:

2-[[5-[(4-chlorophenyl)methylidene]-4-oxido-1,3-thiazol-2-ylidene]amino]benzoate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CCC2C(=O)NC3=C(O2)C=CC=N3)CC4=CC=CC=C4

DOS

IR

Vibrations