Geometry & MOs

Info

ID:	171258
PubChem CID:	75350750
Reduced:	ClNSO5C22H22 (1)
Stoich.:	ABCD5E22F22 (1)
Weight, g/mol:	510.9492
ΔH_f, kcal/mol:	-152.28
Dipole, Da:	3.05
IP(EA), eV:	-8.68(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C=C2C(=O)N(C(=O)S2)CCOC3=CC=C(C=C3)C)OC

DOS

IR

Vibrations