Geometry & MOs

Info

ID:

87111

PubChem CID:

49892205

Reduced:

BrFNSO5H19C26 (1)

Stoich.:

ABCDE5F19G26 (1)

Weight, g/mol:

633.93958

ΔHf, kcal/mol:

-153.08

Dipole, Da:

4.79

IP(EA), eV:

 -9.29(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,6-dibromo-4-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)Br)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations