Geometry & MOs

Info

ID:	87035
PubChem CID:	49890817
Reduced:	FSN2O3H21C24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	450.141342
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	6.97
IP(EA), eV:	-8.39(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2,5-dimethyl-1-(2-phenoxyethyl)pyrrol-3-yl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2OC)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4F

DOS

IR

Vibrations