Geometry & MOs

Info

ID:	171272
PubChem CID:	75351821
Reduced:	BrNSO6C22H22 (1)
Stoich.:	ABCD6E22F22 (1)
Weight, g/mol:	429.088223
ΔH_f, kcal/mol:	-164.9
Dipole, Da:	6.73
IP(EA), eV:	-8.39(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-[2-(2-methoxyphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)Br)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC=C3OC)OC

DOS

IR

Vibrations