Geometry & MOs

Info

ID:	87773
PubChem CID:	49897182
Reduced:	NSO4C12H12 (2)
Stoich.:	ABC4D12E12 (2)
Weight, g/mol:	532.0165
ΔH_f, kcal/mol:	-251.18
Dipole, Da:	6.74
IP(EA), eV:	-8.73(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations