Geometry & MOs

Info

ID:	417222
PubChem CID:	135091734
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-173.66
Dipole, Da:	5.42
IP(EA), eV:	-9.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-4-hydroxy-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)O)C(=O)N[C@@]2(CCOC3([C@H]2O)CCNCC3)C

DOS

IR

Vibrations