Geometry & MOs

Info

ID:	169097
PubChem CID:	75063471
Reduced:	ClFOSN3C13H15 (1)
Stoich.:	ABCDE3F13G15 (1)
Weight, g/mol:	391.040896
ΔH_f, kcal/mol:	-50.02
Dipole, Da:	6.02
IP(EA), eV:	-9.37(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azanium;5-(4-hydroxy-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-olate

Drug info:

PubChemData

Smile

C1CC([NH2+]C1)C2=NN=C(O2)SCC3=CC=CC=C3F.[Cl-]

DOS

IR

Vibrations