Geometry & MOs

Info

ID:	302819
PubChem CID:	124396885
Reduced:	N2O5H8C12 (1)
Stoich.:	A2B5C8D12 (1)
Weight, g/mol:	341.048857
ΔH_f, kcal/mol:	22.86
Dipole, Da:	8.94
IP(EA), eV:	-9.59(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)/C=C\[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations