Geometry & MOs

Info

ID:	86577
PubChem CID:	49887289
Reduced:	SCl2N2O2H18C26 (1)
Stoich.:	AB2C2D2E18F26 (1)
Weight, g/mol:	360.069927
ΔH_f, kcal/mol:	4.3
Dipole, Da:	5.35
IP(EA), eV:	-8.59(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC=C5Cl)Cl

DOS

IR

Vibrations