Geometry & MOs

Info

ID:	88096
PubChem CID:	49900983
Reduced:	BrSN2O4H21C28 (1)
Stoich.:	ABC2D4E21F28 (1)
Weight, g/mol:	555.103785
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	5.39
IP(EA), eV:	-8.95(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)Br)OCC5=CC=NC=C5

DOS

IR

Vibrations