Geometry & MOs

Info

ID:

87365

PubChem CID:

49894319

Reduced:

ClSN3O5H22C27 (1)

Stoich.:

ABC3D5E22F27 (1)

Weight, g/mol:

705.01973

ΔHf, kcal/mol:

-124.97

Dipole, Da:

2.73

IP(EA), eV:

 -9.02(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-ethoxy-5-iodophenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations