Geometry & MOs

Info

ID:	306004
PubChem CID:	125000061
Reduced:	OSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	333.160103
ΔH_f, kcal/mol:	-11.57
Dipole, Da:	4.01
IP(EA), eV:	-9.04(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(5-fluoropyridin-2-yl)-3-hydroxypyrrolidin-3-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N2CCC[C@H]2CCC3=CC=NC=C3

DOS

IR

Vibrations