Geometry & MOs

Info

ID:	171206
PubChem CID:	75344025
Reduced:	NSCl2O5H17C25 (1)
Stoich.:	ABC2D5E17F25 (1)
Weight, g/mol:	446.166414
ΔH_f, kcal/mol:	-119.81
Dipole, Da:	6.24
IP(EA), eV:	-8.91(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCN2C(=O)C(=CC3=C(C=CC(=C3)Cl)OC(=O)C4=CC=CC=C4Cl)SC2=O

DOS

IR

Vibrations