Geometry & MOs

Info

ID:	430705
PubChem CID:	135170771
Reduced:	ClSN3O5C19H22 (1)
Stoich.:	ABC3D5E19F22 (1)
Weight, g/mol:	337.215413
ΔH_f, kcal/mol:	-139.93
Dipole, Da:	4.51
IP(EA), eV:	-8.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(benzylamino)cyclohexyl]-N-ethylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCOC(=O)N1CCOC2=C(C1)C=C(C=N2)NSC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations