Geometry & MOs

Info

ID:	243703
PubChem CID:	99234101
Reduced:	N2O5C26H34 (1)
Stoich.:	A2B5C26D34 (1)
Weight, g/mol:	465.229742
ΔH_f, kcal/mol:	-191.92
Dipole, Da:	3.93
IP(EA), eV:	-8.57(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(2S)-1-(benzenesulfonyl)piperidine-2-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

DOS

IR

Vibrations