Geometry & MOs

Info

ID:

86823

PubChem CID:

49889541

Reduced:

SN2Cl3O4H17C25 (1)

Stoich.:

AB2C3D4E17F25 (1)

Weight, g/mol:

545.997461

ΔHf, kcal/mol:

-97.52

Dipole, Da:

3.51

IP(EA), eV:

 -9.14(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations