Geometry & MOs

Info

ID:	171274
PubChem CID:	75351923
Reduced:	NSBr2O5H19C21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	436.145678
ΔH_f, kcal/mol:	-123.28
Dipole, Da:	6.16
IP(EA), eV:	-8.4(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-methoxyphenoxy)ethyl]-5-[(1-propan-2-ylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC=C3OC)Br

DOS

IR

Vibrations