Geometry & MOs

Info

ID:	418941
PubChem CID:	135107166
Reduced:	O5N7C37H49 (1)
Stoich.:	A5B7C37D49 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-174.39
Dipole, Da:	7.38
IP(EA), eV:	-9.46(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-4-propyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC(=NN1)C(=O)N2CCCCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=CC=C(C2)C=C3)CC4=CC=CC=C4)CC(C)C)C

DOS

IR

Vibrations