Geometry & MOs

Info

ID:	88211
PubChem CID:	49902300
Reduced:	BrSN2O6H15C22 (1)
Stoich.:	ABC2D6E15F22 (1)
Weight, g/mol:	458.02998
ΔH_f, kcal/mol:	-64.93
Dipole, Da:	3.84
IP(EA), eV:	-9.14(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)[N+](=O)[O-]

DOS

IR

Vibrations