Geometry & MOs

Info

ID:	123572
PubChem CID:	50854578
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	386.085577
ΔH_f, kcal/mol:	-30.63
Dipole, Da:	8.0
IP(EA), eV:	-8.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-[(2-chlorophenyl)methyl]-5-[(1-cyclopentylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=CC(=C2)/C=C/3\C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations