Geometry & MOs

Info

ID:

86803

PubChem CID:

49889453

Reduced:

FSN2O6H19C25 (1)

Stoich.:

ABC2D6E19F25 (1)

Weight, g/mol:

533.016986

ΔHf, kcal/mol:

-114.66

Dipole, Da:

9.05

IP(EA), eV:

 -8.82(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] benzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OCC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations