Geometry & MOs

Info

ID:

165645

PubChem CID:

74579867

Reduced:

ClON4H24C27 (1)

Stoich.:

ABC4D24E27 (1)

Weight, g/mol:

491.083231

ΔHf, kcal/mol:

116.25

Dipole, Da:

23.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.067188

Charge, e:

 -1

Chem-info

IUPAC name:

2-chloro-5-[5-[(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1C=CC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5

DOS

IR

Vibrations