Geometry & MOs

Info

ID:	172083
PubChem CID:	75464352
Reduced:	ClN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	421.109627
ΔH_f, kcal/mol:	-34.24
Dipole, Da:	3.3
IP(EA), eV:	-8.74(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(4-methoxyphenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)N3CCOCC3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations