Geometry & MOs

Info

ID:	35122
PubChem CID:	7979344
Reduced:	SO2N3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	353.235479
ΔH_f, kcal/mol:	31.05
Dipole, Da:	4.64
IP(EA), eV:	-9.63(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(S)-(2-methylphenyl)-phenylmethoxy]-3-[(3S)-3-methylpiperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations