Geometry & MOs

Info

ID:	66766
PubChem CID:	46505228
Reduced:	FO2S2N4H11C17 (1)
Stoich.:	AB2C2D4E11F17 (1)
Weight, g/mol:	440.061297
ΔH_f, kcal/mol:	30.71
Dipole, Da:	5.75
IP(EA), eV:	-8.85(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-[(Z)-(5-imino-3-methylsulfanyl-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CSC1=NSC2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)F)/C(=N)N21

DOS

IR

Vibrations