Geometry & MOs

Info

ID:	414782
PubChem CID:	135087745
Reduced:	SO5N9C27H39 (1)
Stoich.:	AB5C9D27E39 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	-139.91
Dipole, Da:	5.87
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-4-propyl-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)CN2C=NN=N2)CC3=CC=CC=C3

DOS

IR

Vibrations