Geometry & MOs

Info

ID:	70806
PubChem CID:	48413896
Reduced:	SO2N4C10H14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-55.93
Dipole, Da:	3.08
IP(EA), eV:	-9.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CN2CCSC2=O

DOS

IR

Vibrations