Geometry & MOs

Info

ID:

87938

PubChem CID:

49898853

Reduced:

BrNSCl2O4H22C30 (1)

Stoich.:

ABCD2E4F22G30 (1)

Weight, g/mol:

593.02964

ΔHf, kcal/mol:

-70.92

Dipole, Da:

3.44

IP(EA), eV:

 -8.95(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)Br)OCC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations