Geometry & MOs

Info

ID:

87681

PubChem CID:

49896483

Reduced:

SN2O5H28C29 (1)

Stoich.:

AB2C5D28E29 (1)

Weight, g/mol:

629.96465

ΔHf, kcal/mol:

-134.68

Dipole, Da:

2.5

IP(EA), eV:

 -8.61(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,6-dibromo-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)NC4=C(C=CC(=C4)C)C)OC)/SC2=O

DOS

IR

Vibrations