Geometry & MOs

Info

ID:	87057
PubChem CID:	49891337
Reduced:	NS2O6H13C17 (1)
Stoich.:	AB2C6D13E17 (1)
Weight, g/mol:	528.151907
ΔH_f, kcal/mol:	-175.65
Dipole, Da:	7.72
IP(EA), eV:	-9.33(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=C\3/C(=O)NC(=O)S3

DOS

IR

Vibrations