Geometry & MOs

Info

ID:

87848

PubChem CID:

49897930

Reduced:

SN2F3O6H21C30 (1)

Stoich.:

AB2C3D6E21F30 (1)

Weight, g/mol:

512.036434

ΔHf, kcal/mol:

-214.34

Dipole, Da:

5.3

IP(EA), eV:

 -9.1(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations