Geometry & MOs

Info

ID:	171216
PubChem CID:	75344513
Reduced:	BrN2S2O7C25H25 (1)
Stoich.:	AB2C2D7E25F25 (1)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-222.81
Dipole, Da:	7.12
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCC3)Br)OS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations