Geometry & MOs

Info

ID:

87995

PubChem CID:

49899474

Reduced:

NSCl2O3H19C28 (1)

Stoich.:

ABC2D3E19F28 (1)

Weight, g/mol:

562.052084

ΔHf, kcal/mol:

-29.21

Dipole, Da:

5.32

IP(EA), eV:

 -9.07(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2COC3=CC=C(C=C3)/C=C\4/C(=O)N(C(=O)S4)CC5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations