Geometry & MOs

Info

ID:

86952

PubChem CID:

49890219

Reduced:

ISCl2N2O5H23C28 (1)

Stoich.:

ABC2D2E5F23G28 (1)

Weight, g/mol:

560.027885

ΔHf, kcal/mol:

-125.74

Dipole, Da:

1.29

IP(EA), eV:

 -8.81(-1.72)

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]phenyl] 4-acetamidobenzenesulfonate

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)I)OCC(=O)NC4=CC=CC(=C4)C

DOS

IR

Vibrations