Geometry & MOs

Info

ID:

171106

PubChem CID:

75329277

Reduced:

BrISN2O4H18C26 (1)

Stoich.:

ABCD2E4F18G26 (1)

Weight, g/mol:

619.95751

ΔHf, kcal/mol:

-16.43

Dipole, Da:

2.69

IP(EA), eV:

 -8.82(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-chloro-6-methoxyphenoxy]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)I)OCC4=CC=CC=C4C#N

DOS

IR

Vibrations