Geometry & MOs

Info

ID:	66787
PubChem CID:	46505267
Reduced:	FS2O3N4H13C20 (1)
Stoich.:	AB2C3D4E13F20 (1)
Weight, g/mol:	472.033369
ΔH_f, kcal/mol:	-11.72
Dipole, Da:	5.46
IP(EA), eV:	-8.79(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-4-[(Z)-(5-imino-3-methylsulfanyl-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CSC1=NSC2=NC(=O)/C(=C\C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4F)/C(=N)N21

DOS

IR

Vibrations