Geometry & MOs

Info

ID:	302802
PubChem CID:	124396265
Reduced:	BrN3O5H12C17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	419.956075
ΔH_f, kcal/mol:	-18.34
Dipole, Da:	2.8
IP(EA), eV:	-9.05(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4S)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-5-imino-4-(1,3-thiazol-2-yl)thiolan-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations