Geometry & MOs

Info

ID:	87108
PubChem CID:	49892164
Reduced:	FNSO4H22C25 (1)
Stoich.:	ABCD4E22F25 (1)
Weight, g/mol:	422.110042
ΔH_f, kcal/mol:	-141.4
Dipole, Da:	0.89
IP(EA), eV:	-8.79(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C=CC(=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4F)OCC

DOS

IR

Vibrations