Geometry & MOs

Info

ID:

86874

PubChem CID:

49889869

Reduced:

SN2Cl3O4H19C26 (1)

Stoich.:

AB2C3D4E19F26 (1)

Weight, g/mol:

595.971189

ΔHf, kcal/mol:

-102.23

Dipole, Da:

6.14

IP(EA), eV:

 -9.12(-1.09)

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-(3-chloro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=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

DOS

IR

Vibrations