Geometry & MOs

Info

ID:	274266
PubChem CID:	103808100
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	275.022832
ΔH_f, kcal/mol:	8.41
Dipole, Da:	5.48
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-oxobutan-2-yl)-2,6-dichloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN[C@@H](C1)C(=O)NC2=CC=C(C=C2)C3=NC=CS3

DOS

IR

Vibrations