Geometry & MOs

Info

ID:	419245
PubChem CID:	135107820
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	329.093309
ΔH_f, kcal/mol:	-116.13
Dipole, Da:	3.81
IP(EA), eV:	-9.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CCC(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations