Geometry & MOs

Info

ID:

87734

PubChem CID:

49896899

Reduced:

S2N3O9H19C25 (1)

Stoich.:

A2B3C9D19E25 (1)

Weight, g/mol:

573.05692

ΔHf, kcal/mol:

-174.95

Dipole, Da:

9.32

IP(EA), eV:

 -8.83(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations