Geometry & MOs

Info

ID:	86707
PubChem CID:	49888554
Reduced:	BrSN2O2H19C26 (1)
Stoich.:	ABC2D2E19F26 (1)
Weight, g/mol:	445.111457
ΔH_f, kcal/mol:	28.21
Dipole, Da:	5.58
IP(EA), eV:	-8.74(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-butan-2-yloxy-3-ethoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Br)/SC2=O

DOS

IR

Vibrations