Geometry & MOs

Info

ID:	189198
PubChem CID:	77825750
Reduced:	FOSN3C18H28 (1)
Stoich.:	ABCD3E18F28 (1)
Weight, g/mol:	479.278407
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	2.59
IP(EA), eV:	-8.45(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxy-N-[[3-methyl-1-(2-methylphenyl)piperidin-4-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CCC(CC2=CC=CC=C2F)N)CNS(=O)C3CC3

DOS

IR

Vibrations