Geometry & MOs

Info

ID:

86795

PubChem CID:

49889352

Reduced:

SN2Cl4O5H18C26 (1)

Stoich.:

AB2C4D5E18F26 (1)

Weight, g/mol:

528.046121

ΔHf, kcal/mol:

-141.2

Dipole, Da:

1.47

IP(EA), eV:

 -9.01(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)Cl)OCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations