Geometry & MOs

Info

ID:

87803

PubChem CID:

49897500

Reduced:

N2S2O8H22C23 (1)

Stoich.:

A2B2C8D22E23 (1)

Weight, g/mol:

559.117999

ΔHf, kcal/mol:

-254.62

Dipole, Da:

9.48

IP(EA), eV:

 -9.04(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4

DOS

IR

Vibrations