Geometry & MOs

Info

ID:	414406
PubChem CID:	135087364
Reduced:	ON4C23H36 (1)
Stoich.:	AB4C23D36 (1)
Weight, g/mol:	341.129694
ΔH_f, kcal/mol:	-36.33
Dipole, Da:	4.2
IP(EA), eV:	-8.63(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC(=C(C=C2C)C)CN(CCO)CC3=CN=C(N3)C

DOS

IR

Vibrations