Geometry & MOs

Info

ID:	171120
PubChem CID:	75329927
Reduced:	BrSN2O3H19C22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	604.79658
ΔH_f, kcal/mol:	-41.35
Dipole, Da:	7.92
IP(EA), eV:	-8.47(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-dibromo-6-[[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CO2)C)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4Br

DOS

IR

Vibrations