Geometry & MOs

Info

ID:	321983
PubChem CID:	126667663
Reduced:	FSO2N3H18C23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	357.06153
ΔH_f, kcal/mol:	25.76
Dipole, Da:	5.87
IP(EA), eV:	-8.5(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,3aR,6S,6aR)-3-(2-chloro-4-nitrophenoxy)-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-yl] acetate

Drug info:

PubChemData

Smile

COC(=O)C1=C(NC2=C1C=CC(=C2)C#N)N(C3CCC3)C4=CC(=C(C=C4)C#CS)F

DOS

IR

Vibrations