Geometry & MOs

Info

ID:	259136
PubChem CID:	103158338
Reduced:	N2F3O4C12H13 (1)
Stoich.:	A2B3C4D12E13 (1)
Weight, g/mol:	247.1606
ΔH_f, kcal/mol:	-285.89
Dipole, Da:	6.67
IP(EA), eV:	-9.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(3-methylsulfinylpropylamino)propan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NC1=C(C(=C(C=C1)F)F)F

DOS

IR

Vibrations