Geometry & MOs

Info

ID:	55710
PubChem CID:	17395914
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	414.162471
ΔH_f, kcal/mol:	50.21
Dipole, Da:	5.09
IP(EA), eV:	-9.37(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2=NN3C(=CC(=NC3=N2)C)C

DOS

IR

Vibrations