Geometry & MOs

Info

ID:	87783
PubChem CID:	49897290
Reduced:	SCl2N3O6H23C25 (1)
Stoich.:	AB2C3D6E23F25 (1)
Weight, g/mol:	422.114772
ΔH_f, kcal/mol:	-200.49
Dipole, Da:	4.65
IP(EA), eV:	-9.05(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4)Cl)Cl

DOS

IR

Vibrations