Geometry & MOs

Info

ID:	305549
PubChem CID:	124959402
Reduced:	FNO4C28H28 (1)
Stoich.:	ABC4D28E28 (1)
Weight, g/mol:	439.238353
ΔH_f, kcal/mol:	-168.94
Dipole, Da:	7.12
IP(EA), eV:	-9.34(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(5-fluoropyridin-2-yl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-4-(1-methylbenzimidazol-2-yl)butanamide

Drug info:

PubChemData

Smile

C[C@]1(CC2=C(O1)C=CC(=C2)C(=O)N(CCCC3=CC=CC=C3)CC(=O)O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations