Geometry & MOs

Info

ID:	183302
PubChem CID:	77004742
Reduced:	SO3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	-97.45
Dipole, Da:	4.4
IP(EA), eV:	-9.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(N'-hydroxycarbamimidoyl)-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)C=C(C2=CC=CS2)C(=O)O

DOS

IR

Vibrations