Geometry & MOs

Info

ID:

87105

PubChem CID:

49892142

Reduced:

BrFNSO4H17C28 (1)

Stoich.:

ABCDE4F17G28 (1)

Weight, g/mol:

504.151907

ΔHf, kcal/mol:

-91.46

Dipole, Da:

4.41

IP(EA), eV:

 -9.31(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=C(C=C3)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC=C5F)Br

DOS

IR

Vibrations