Geometry & MOs

Info

ID:	416849
PubChem CID:	135090586
Reduced:	N6O9C36H46 (1)
Stoich.:	A6B9C36D46 (1)
Weight, g/mol:	323.136887
ΔH_f, kcal/mol:	-358.15
Dipole, Da:	3.7
IP(EA), eV:	-9.23(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[3-(4-carboxyphenoxy)propyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations