Geometry & MOs

Info

ID:	421275
PubChem CID:	135115680
Reduced:	SO3N5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	254.117904
ΔH_f, kcal/mol:	-55.12
Dipole, Da:	1.46
IP(EA), eV:	-9.4(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=CC[C@@]1(C[C@H]2CC[C@@H]1N2S(=O)(=O)C)C(=O)NCC3=NN=C4N3C=CC=C4)C

DOS

IR

Vibrations