Geometry & MOs

Info

ID:	88418
PubChem CID:	49903370
Reduced:	BrNSCl2O5H16C25 (1)
Stoich.:	ABCD2E5F16G25 (1)
Weight, g/mol:	514.89966
ΔH_f, kcal/mol:	-119.66
Dipole, Da:	3.45
IP(EA), eV:	-9.38(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(4-bromophenyl)methyl]-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=C3Br)Cl)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations