Geometry & MOs

Info

ID:	22287
PubChem CID:	596525
Reduced:	SO3N5H11C13 (1)
Stoich.:	AB3C5D11E13 (1)
Weight, g/mol:	317.05826
ΔH_f, kcal/mol:	46.95
Dipole, Da:	6.88
IP(EA), eV:	-9.19(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C2C(=O)N(C(=N)S2)C3=NON=C3N

DOS

IR

Vibrations