Geometry & MOs

Info

ID:	87025
PubChem CID:	49890744
Reduced:	SCl2N2O5H16C20 (1)
Stoich.:	AB2C2D5E16F20 (1)
Weight, g/mol:	546.04602
ΔH_f, kcal/mol:	-157.31
Dipole, Da:	3.71
IP(EA), eV:	-8.92(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2Cl)/C=C\3/C(=O)NC(=O)S3)OC)Cl

DOS

IR

Vibrations