Geometry & MOs

Info

ID:

87851

PubChem CID:

49897958

Reduced:

NSCl3O4H22C28 (1)

Stoich.:

ABC3D4E22F28 (1)

Weight, g/mol:

582.948463

ΔHf, kcal/mol:

-83.24

Dipole, Da:

2.22

IP(EA), eV:

 -8.79(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations