Geometry & MOs

Info

ID:	418144
PubChem CID:	135103656
Reduced:	ClN2O2C19H27 (1)
Stoich.:	AB2C2D19E27 (1)
Weight, g/mol:	351.186815
ΔH_f, kcal/mol:	-95.26
Dipole, Da:	2.72
IP(EA), eV:	-9.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCC3=CC=C(C=C3)Cl)CO

DOS

IR

Vibrations