Geometry & MOs

Info

ID:	388904
PubChem CID:	134990564
Reduced:	F2O3N5C26H29 (1)
Stoich.:	A2B3C5D26E29 (1)
Weight, g/mol:	340.188589
ΔH_f, kcal/mol:	-120.58
Dipole, Da:	2.43
IP(EA), eV:	-8.48(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6S,6aR)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ol

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3C[C@](OC3)(CN4C=NC=N4)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations