Geometry & MOs

Info

ID:	85551
PubChem CID:	49876768
Reduced:	BrClFN3O4H19C23 (1)
Stoich.:	ABCD3E4F19G23 (1)
Weight, g/mol:	550.05668
ΔH_f, kcal/mol:	-93.1
Dipole, Da:	7.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.888231
Charge, e:	-1

Chem-info

IUPAC name:

(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one;chloride

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=COC3=N)C(=O)C4=C(C=CC(=C4)Br)O.[Cl-]

DOS

IR

Vibrations