Geometry & MOs

Info

ID:	88031
PubChem CID:	49900044
Reduced:	NSBr2Cl3O3H14C24 (1)
Stoich.:	ABC2D3E3F14G24 (1)
Weight, g/mol:	390.140199
ΔH_f, kcal/mol:	-44.9
Dipole, Da:	4.72
IP(EA), eV:	-9.42(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)Br)Cl

DOS

IR

Vibrations