Geometry & MOs

Info

ID:

86792

PubChem CID:

49889344

Reduced:

FNSO3H20C28 (1)

Stoich.:

ABCD3E20F28 (1)

Weight, g/mol:

638.96825

ΔHf, kcal/mol:

-58.82

Dipole, Da:

5.67

IP(EA), eV:

 -8.86(-0.9)

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]-2-iodo-6-methoxyphenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations