Geometry & MOs

Info

ID:

88038

PubChem CID:

49900091

Reduced:

ISCl2N2O6H19C26 (1)

Stoich.:

ABC2D2E6F19G26 (1)

Weight, g/mol:

495.031014

ΔHf, kcal/mol:

-76.21

Dipole, Da:

6.71

IP(EA), eV:

 -9.44(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)I)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations