Geometry & MOs

Info

ID:	86977
PubChem CID:	49890310
Reduced:	BrSN2O6H13C18 (1)
Stoich.:	ABC2D6E13F18 (1)
Weight, g/mol:	438.124943
ΔH_f, kcal/mol:	-92.21
Dipole, Da:	5.13
IP(EA), eV:	-9.26(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)/C=C\2/C(=O)NC(=O)S2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations