Geometry & MOs

Info

ID:	87034
PubChem CID:	49890770
Reduced:	SCl2N2O6H24C25 (1)
Stoich.:	AB2C2D6E24F25 (1)
Weight, g/mol:	436.125692
ΔH_f, kcal/mol:	-193.74
Dipole, Da:	1.63
IP(EA), eV:	-8.66(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-fluorophenyl)methyl]-5-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OCC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations