Geometry & MOs

Info

ID:

86912

PubChem CID:

49889979

Reduced:

FINSO5H19C26 (1)

Stoich.:

ABCDE5F19G26 (1)

Weight, g/mol:

662.00446

ΔHf, kcal/mol:

-141.52

Dipole, Da:

4.39

IP(EA), eV:

 -9.27(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-bromo-4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations