Geometry & MOs

Info

ID:	343711
PubChem CID:	127266887
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	288.150764
ΔH_f, kcal/mol:	-123.32
Dipole, Da:	4.87
IP(EA), eV:	-9.91(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanylmethylsulfonylamino)-N-ethylpropanamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)[C@H]2[C@@H](CCC(=O)N2)NC(=O)OCC3CCCCC3

DOS

IR

Vibrations