Geometry & MOs

Info

ID:	68381
PubChem CID:	46508305
Reduced:	F3O3N5H20C21 (1)
Stoich.:	A3B3C5D20E21 (1)
Weight, g/mol:	374.187543
ΔH_f, kcal/mol:	-168.29
Dipole, Da:	12.79
IP(EA), eV:	-10.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cycloheptylamino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

DOS

IR

Vibrations