Geometry & MOs

Info

ID:

86875

PubChem CID:

49889870

Reduced:

SN2Cl4O4H18C26 (1)

Stoich.:

AB2C4D4E18F26 (1)

Weight, g/mol:

581.955539

ΔHf, kcal/mol:

-114.86

Dipole, Da:

2.28

IP(EA), eV:

 -9.05(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations