Geometry & MOs

Info

ID:

87200

PubChem CID:

49893026

Reduced:

SCl2N2O6H20C26 (1)

Stoich.:

AB2C2D6E20F26 (1)

Weight, g/mol:

590.023676

ΔHf, kcal/mol:

-95.87

Dipole, Da:

7.03

IP(EA), eV:

 -8.84(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OCC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations