Geometry & MOs

Info

ID:	318624
PubChem CID:	126652352
Reduced:	F2N3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	312.077993
ΔH_f, kcal/mol:	-166.3
Dipole, Da:	2.5
IP(EA), eV:	-8.62(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6S,6aR)-3-(2-methylsulfanylpyrimidin-4-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate

Drug info:

PubChemData

Smile

CC1=CN2C(=C(N=C2C(=C1)OCC3=C(C=CC=C3F)F)C)C(=O)NC4CCOCC4

DOS

IR

Vibrations