Geometry & MOs

Info

ID:	417983
PubChem CID:	135103216
Reduced:	FN5O5C34H46 (1)
Stoich.:	AB5C5D34E46 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-264.62
Dipole, Da:	4.58
IP(EA), eV:	-9.55(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(3-pyrrol-1-ylpropyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)CCCC3=CC=C(C=C3)F)C(C)C

DOS

IR

Vibrations