Geometry & MOs

Info

ID:	86748
PubChem CID:	49888845
Reduced:	ClSN2O5H21C26 (1)
Stoich.:	ABC2D5E21F26 (1)
Weight, g/mol:	436.989149
ΔH_f, kcal/mol:	-113.61
Dipole, Da:	2.95
IP(EA), eV:	-9.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,6-dichlorophenoxy]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)OCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations