Geometry & MOs

Info

ID:	139309
PubChem CID:	52507938
Reduced:	N4O5C25H28 (1)
Stoich.:	A4B5C25D28 (1)
Weight, g/mol:	377.247855
ΔH_f, kcal/mol:	-128.92
Dipole, Da:	2.94
IP(EA), eV:	-8.33(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R)-N-butyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-6-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)NC(=O)C

DOS

IR

Vibrations