Geometry & MOs

Info

ID:	162385
PubChem CID:	57394511
Reduced:	ClSN2O2C17H17 (1)
Stoich.:	ABC2D2E17F17 (1)
Weight, g/mol:	322.204513
ΔH_f, kcal/mol:	-73.01
Dipole, Da:	6.31
IP(EA), eV:	-9.33(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R,3S,6S)-N-methoxy-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-imine

Drug info:

PubChemData

Smile

C1CCC2=C(NC(=O)C(=C2C1)C(=O)N)SCC3=CC=CC=C3Cl

DOS

IR

Vibrations