Geometry & MOs

Info

ID:	420467
PubChem CID:	135113288
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	385.155909
ΔH_f, kcal/mol:	27.13
Dipole, Da:	2.19
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(2-ethoxy-5-methylphenyl)sulfonyl-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)C2=CC=C(C=C2)C3=CC=NN3)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations