Geometry & MOs

Info

ID:

87800

PubChem CID:

49897479

Reduced:

S2N3O9H19C22 (1)

Stoich.:

A2B3C9D19E22 (1)

Weight, g/mol:

637.02851

ΔHf, kcal/mol:

-210.9

Dipole, Da:

4.6

IP(EA), eV:

 -9.39(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-bromo-6-methoxy-4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations