Geometry & MOs

Info

ID:

88215

PubChem CID:

49902319

Reduced:

BrClNSO4H21C29 (1)

Stoich.:

ABCDE4F21G29 (1)

Weight, g/mol:

545.997461

ΔHf, kcal/mol:

-52.98

Dipole, Da:

5.19

IP(EA), eV:

 -8.86(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-chloro-2-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Cl)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations