Geometry & MOs

Info

ID:	138154
PubChem CID:	52319052
Reduced:	OSN2C12H12 (2)
Stoich.:	ABC2D12E12 (2)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	9.22
Dipole, Da:	9.46
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NC(=O)C3=C(N2)C(=CS3)C4=CC=CC=C4)C(=O)NCCC5=CC=CS5

DOS

IR

Vibrations