Geometry & MOs

Info

ID:	138092
PubChem CID:	52312442
Reduced:	SN3O3C21H36 (1)
Stoich.:	AB3C3D21E36 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-82.87
Dipole, Da:	6.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752489
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-N-[2-[(5-methylpyridin-2-yl)amino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CCN(CC(C)C)C(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2CC2

DOS

IR

Vibrations