Geometry & MOs

Info

ID:	87362
PubChem CID:	49894295
Reduced:	BrClNSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	479.036099
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	6.41
IP(EA), eV:	-8.74(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2,6-dichloro-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4Cl)OC)/SC2=O

DOS

IR

Vibrations