Geometry & MOs

Info

ID:

171230

PubChem CID:

75346499

Reduced:

NS2O6H27C31 (1)

Stoich.:

AB2C6D27E31 (1)

Weight, g/mol:

657.06821

ΔHf, kcal/mol:

-156.0

Dipole, Da:

6.21

IP(EA), eV:

 -8.45(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methoxy-4-[[3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)C=C4C(=O)N(C(=O)S4)CCOC5=C(C=CC(=C5)C)C

DOS

IR

Vibrations