Geometry & MOs

Info

ID:

88390

PubChem CID:

49903191

Reduced:

BrFINSO4H18C25 (1)

Stoich.:

ABCDEF4G18H25 (1)

Weight, g/mol:

601.05586

ΔHf, kcal/mol:

-88.45

Dipole, Da:

6.27

IP(EA), eV:

 -8.98(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-6-ethoxy-4-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)I)OCC4=CC=CC=C4F

DOS

IR

Vibrations