Geometry & MOs

Info

ID:

88581

PubChem CID:

49955530

Reduced:

BrClSN3O6H24C26 (1)

Stoich.:

ABCD3E6F24G26 (1)

Weight, g/mol:

610.06474

ΔHf, kcal/mol:

-128.38

Dipole, Da:

2.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.071145

Charge, e:

 -1

Chem-info

IUPAC name:

ethyl 4-[[(2Z)-2-[3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetyl]amino]benzoate;bromide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=C(C(=CC=C3)OC)OC)C(=O)C=C(S2)C(=O)NC4=CC=C(C=C4)Cl)C.[Br-]

DOS

IR

Vibrations