Geometry & MOs

Info

ID:	321773
PubChem CID:	126666963
Reduced:	F3O3N6C22H23 (1)
Stoich.:	A3B3C6D22E23 (1)
Weight, g/mol:	289.134779
ΔH_f, kcal/mol:	-185.11
Dipole, Da:	6.79
IP(EA), eV:	-9.21(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylcyclopentyl] acetate

Drug info:

PubChemData

Smile

C1CC([C@@H](C[C@@H]1O)O)NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=C(C=CC(=C5)F)F)F

DOS

IR

Vibrations