Geometry & MOs

Info

ID:	66798
PubChem CID:	46505286
Reduced:	S2N4O4H14C19 (1)
Stoich.:	A2B4C4D14E19 (1)
Weight, g/mol:	400.046396
ΔH_f, kcal/mol:	-9.83
Dipole, Da:	9.12
IP(EA), eV:	-9.0(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-ethylsulfanyl-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCSC1=NSC2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/C(=N)N21

DOS

IR

Vibrations