Geometry & MOs

Info

ID:	88177
PubChem CID:	49902173
Reduced:	NSCl2O5H17C25 (1)
Stoich.:	ABC2D5E17F25 (1)
Weight, g/mol:	602.88482
ΔH_f, kcal/mol:	-120.03
Dipole, Da:	7.93
IP(EA), eV:	-9.06(-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-iodo-6-methoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations