Geometry & MOs

Info

ID:	80839
PubChem CID:	49846417
Reduced:	SN2O3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	-33.57
Dipole, Da:	7.92
IP(EA), eV:	-9.16(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-hydroxy-3-[2-oxo-1-(pyridin-4-ylmethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CN(C(=O)C(=C1)/C=C/C(=O)NO)CCC2=CC=CS2

DOS

IR

Vibrations