Geometry & MOs

Info

ID:	87125
PubChem CID:	49892551
Reduced:	NSCl2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	496.065984
ΔH_f, kcal/mol:	-114.91
Dipole, Da:	5.04
IP(EA), eV:	-8.51(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OC

DOS

IR

Vibrations