Geometry & MOs

Info

ID:	87055
PubChem CID:	49891319
Reduced:	SCl2N2O5H16C20 (1)
Stoich.:	AB2C2D5E16F20 (1)
Weight, g/mol:	513.120586
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	3.17
IP(EA), eV:	-9.1(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)/SC2=O

DOS

IR

Vibrations