Geometry & MOs

Info

ID:	86749
PubChem CID:	49888874
Reduced:	NSCl2O5H13C19 (1)
Stoich.:	ABC2D5E13F19 (1)
Weight, g/mol:	591.97205
ΔH_f, kcal/mol:	-152.5
Dipole, Da:	3.06
IP(EA), eV:	-9.76(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-iodo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC(=O)O)Cl)/SC2=O

DOS

IR

Vibrations