Geometry & MOs

Info

ID:	306026
PubChem CID:	125000721
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	453.196489
ΔH_f, kcal/mol:	-104.09
Dipole, Da:	6.07
IP(EA), eV:	-9.26(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[6-[(4-fluorophenyl)methyl]pyridin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-ylpyridin-2-yl)methanone

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC3=C(C[C@H](C3)N)C=C2

DOS

IR

Vibrations