Geometry & MOs

Info

ID:	133622
PubChem CID:	51563913
Reduced:	O2N4C21H25 (1)
Stoich.:	A2B4C21D25 (1)
Weight, g/mol:	368.156992
ΔH_f, kcal/mol:	-23.36
Dipole, Da:	6.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.979985
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)[C@H]3CC(=O)N(C3)CC4=CC=CC=C4

DOS

IR

Vibrations