Geometry & MOs

Info

ID:	417240
PubChem CID:	135091768
Reduced:	S2F3N3O3C18H22 (1)
Stoich.:	A2B3C3D3E18F22 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-247.86
Dipole, Da:	5.11
IP(EA), eV:	-9.5(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2=NNC(=C2)C(F)(F)F)S(=O)(=O)N3CCC[C@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations