Geometry & MOs

Info

ID:

87873

PubChem CID:

49898195

Reduced:

NS2Cl3O6H18C25 (1)

Stoich.:

AB2C3D6E18F25 (1)

Weight, g/mol:

552.92899

ΔHf, kcal/mol:

-176.7

Dipole, Da:

7.77

IP(EA), eV:

 -8.95(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-chloro-2-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)OC

DOS

IR

Vibrations