Geometry & MOs

Info

ID:	88073
PubChem CID:	49900508
Reduced:	BrNSCl2O4H16C28 (1)
Stoich.:	ABCD2E4F16G28 (1)
Weight, g/mol:	460.99326
ΔH_f, kcal/mol:	-62.47
Dipole, Da:	4.09
IP(EA), eV:	-9.32(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=C(C=C3)/C=C\4/C(=O)N(C(=O)S4)CC5=C(C=CC=C5Cl)Cl)Br

DOS

IR

Vibrations