Geometry & MOs

Info

ID:

88391

PubChem CID:

49903198

Reduced:

BrNSO5H24C31 (1)

Stoich.:

ABCD5E24F31 (1)

Weight, g/mol:

550.05619

ΔHf, kcal/mol:

-98.01

Dipole, Da:

5.21

IP(EA), eV:

 -9.28(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)Br)OC(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations