Geometry & MOs

Info

ID:	421034
PubChem CID:	135115263
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-41.57
Dipole, Da:	3.54
IP(EA), eV:	-9.19(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-[3-(4-hydroxyphenyl)propanoyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NC/C=C/C2=CC=CC=C2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations