Geometry & MOs

Info

ID:

87642

PubChem CID:

49896200

Reduced:

SCl2N2O4H20C26 (1)

Stoich.:

AB2C2D4E20F26 (1)

Weight, g/mol:

540.067734

ΔHf, kcal/mol:

-97.24

Dipole, Da:

4.49

IP(EA), eV:

 -9.04(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Cl)OCC(=O)NC4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations