Geometry & MOs

Info

ID:	88394
PubChem CID:	49903253
Reduced:	BrSN2O5H9C15 (1)
Stoich.:	ABC2D5E9F15 (1)
Weight, g/mol:	401.00851
ΔH_f, kcal/mol:	-43.23
Dipole, Da:	6.29
IP(EA), eV:	-9.69(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/SC2=O)Br

DOS

IR

Vibrations