Geometry & MOs

Info

ID:	66827
PubChem CID:	46505337
Reduced:	S2O4N5H17C20 (1)
Stoich.:	A2B4C5D17E20 (1)
Weight, g/mol:	379.040896
ΔH_f, kcal/mol:	56.7
Dipole, Da:	7.76
IP(EA), eV:	-8.94(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CSC1=NSC2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])/C(=N)N21

DOS

IR

Vibrations