Geometry & MOs

Info

ID:

171026

PubChem CID:

75313431

Reduced:

NSO3H21C28 (1)

Stoich.:

ABC3D21E28 (1)

Weight, g/mol:

695.97495

ΔHf, kcal/mol:

-12.16

Dipole, Da:

4.85

IP(EA), eV:

 -8.99(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC5=CC=CC=C54)SC2=O

DOS

IR

Vibrations