Geometry & MOs

Info

ID:	228532
PubChem CID:	87565236
Reduced:	PO2C12H29 (1)
Stoich.:	AB2C12D29 (1)
Weight, g/mol:	1014.347826
ΔH_f, kcal/mol:	-173.03
Dipole, Da:	3.23
IP(EA), eV:	-8.78(1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-[3-(dibenzylamino)propyl]-4-(N-quinolin-8-ylsulfonylanilino)piperidine-1-carboxylic acid;4-(N-thiophen-2-ylsulfonylanilino)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)P(C(C)(C)C)(C(C)(C)C)(O)O

DOS

IR

Vibrations