Geometry & MOs

Info

ID:	146642
PubChem CID:	53722548
Reduced:	SO2N6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	213.03857
ΔH_f, kcal/mol:	28.16
Dipole, Da:	9.31
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[hydrazinyl(hydroxy)methylidene]-4,5-dioxo-1H-pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C(=S)NCC1=CC2=C(C=C1)OCO2)NC3=NC(=NC(=C3)C)N4C=CN=C4

DOS

IR

Vibrations