Geometry & MOs

Info

ID:	86941
PubChem CID:	49890097
Reduced:	SN2Cl3O4H13C19 (1)
Stoich.:	AB2C3D4E13F19 (1)
Weight, g/mol:	514.89966
ΔH_f, kcal/mol:	-119.76
Dipole, Da:	3.33
IP(EA), eV:	-9.65(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Cl)OCC(=O)N)/SC2=O

DOS

IR

Vibrations