Geometry & MOs

Info

ID:	321986
PubChem CID:	126667667
Reduced:	ClSN3O5H24C27 (1)
Stoich.:	ABC3D5E24F27 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-101.7
Dipole, Da:	7.01
IP(EA), eV:	-8.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]12[C@H](CO[C@@]1([C@H](CO2)OC(=O)C3=CC=CC=C3)C)OC4=C(C=C(C=C4)NC5=NC=NC6=C5SC=C6)Cl

DOS

IR

Vibrations