Geometry & MOs

Info

ID:	86645
PubChem CID:	49888089
Reduced:	NSCl2O5H17C25 (1)
Stoich.:	ABC2D5E17F25 (1)
Weight, g/mol:	604.99245
ΔH_f, kcal/mol:	-118.17
Dipole, Da:	5.45
IP(EA), eV:	-9.25(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC(=O)C2=CC=CC=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations