Geometry & MOs

Info

ID:	87871
PubChem CID:	49898144
Reduced:	BrNCl2S2O5H14C23 (1)
Stoich.:	ABC2D2E5F14G23 (1)
Weight, g/mol:	394.030954
ΔH_f, kcal/mol:	-108.15
Dipole, Da:	1.72
IP(EA), eV:	-9.32(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-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=C(C=CC=C3Cl)Cl)Br)OC(=O)C4=CC=CS4

DOS

IR

Vibrations