Geometry & MOs

Info

ID:	87244
PubChem CID:	49893423
Reduced:	NSCl4O4H17C25 (1)
Stoich.:	ABC4D4E17F25 (1)
Weight, g/mol:	436.989149
ΔH_f, kcal/mol:	-101.98
Dipole, Da:	2.71
IP(EA), eV:	-9.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations