Geometry & MOs

Info

ID:

87518

PubChem CID:

49895179

Reduced:

NS2O7H25C27 (1)

Stoich.:

AB2C7D25E27 (1)

Weight, g/mol:

616.93302

ΔHf, kcal/mol:

-203.74

Dipole, Da:

7.17

IP(EA), eV:

 -8.76(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C)OS(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations