Geometry & MOs

Info

ID:	87986
PubChem CID:	49899385
Reduced:	NSCl2O4H17C28 (1)
Stoich.:	ABC2D4E17F28 (1)
Weight, g/mol:	512.036434
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	3.38
IP(EA), eV:	-8.98(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=C(C=CC(=C4)Cl)OC(=O)C5=CC=C(C=C5)Cl)/SC3=O

DOS

IR

Vibrations