Geometry & MOs

Info

ID:	86979
PubChem CID:	49890312
Reduced:	BrSN2O7H21C24 (1)
Stoich.:	ABC2D7E21F24 (1)
Weight, g/mol:	506.046998
ΔH_f, kcal/mol:	-198.63
Dipole, Da:	6.4
IP(EA), eV:	-8.96(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OC(=O)C4=CC=CC=C4Br

DOS

IR

Vibrations