Geometry & MOs

Info

ID:

87100

PubChem CID:

49892065

Reduced:

FSN2O5H23C27 (1)

Stoich.:

ABC2D5E23F27 (1)

Weight, g/mol:

680.0045

ΔHf, kcal/mol:

-159.1

Dipole, Da:

3.67

IP(EA), eV:

 -9.11(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[2-ethoxy-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-iodophenoxy]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations