Geometry & MOs

Info

ID:	321768
PubChem CID:	126666958
Reduced:	O3F4N6C20H20 (1)
Stoich.:	A3B4C6D20E20 (1)
Weight, g/mol:	259.141973
ΔH_f, kcal/mol:	-234.67
Dipole, Da:	8.04
IP(EA), eV:	-9.06(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate

Drug info:

PubChemData

Smile

C1[C@H](C[C@H]([C@@H]1NC2=NC=NC3=NNC(=C32)C(=O)N[C@H](CO)C4=C(C=CC(=C4)F)F)O)C(F)F

DOS

IR

Vibrations