Geometry & MOs

Info

ID:	171266
PubChem CID:	75350938
Reduced:	ClNSO5H26C31 (1)
Stoich.:	ABCD5E26F31 (1)
Weight, g/mol:	600.01213
ΔH_f, kcal/mol:	-99.8
Dipole, Da:	5.13
IP(EA), eV:	-8.64(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-2-[[3-[2-(4-methylphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC4=CC=CC5=CC=CC=C54)OC)SC2=O

DOS

IR

Vibrations