Geometry & MOs

Info

ID:

88388

PubChem CID:

49903168

Reduced:

BrSN3O6H16C23 (1)

Stoich.:

ABC3D6E16F23 (1)

Weight, g/mol:

587.04021

ΔHf, kcal/mol:

-48.67

Dipole, Da:

2.99

IP(EA), eV:

 -9.47(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-6-methoxy-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)OC4=C(C=CC=N4)[N+](=O)[O-]

DOS

IR

Vibrations