Geometry & MOs

Info

ID:	87141
PubChem CID:	49892628
Reduced:	NSCl2O4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	472.989149
ΔH_f, kcal/mol:	-112.13
Dipole, Da:	3.87
IP(EA), eV:	-8.67(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations