Geometry & MOs

Info

ID:

88207

PubChem CID:

49902290

Reduced:

BrSN2O5H27C29 (1)

Stoich.:

ABC2D5E27F29 (1)

Weight, g/mol:

526.052084

ΔHf, kcal/mol:

-128.17

Dipole, Da:

3.86

IP(EA), eV:

 -8.6(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC(=O)NC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations