Geometry & MOs

Info

ID:	309382
PubChem CID:	126545850
Reduced:	ClFS2N3O6C18H19 (1)
Stoich.:	ABC2D3E6F18G19 (1)
Weight, g/mol:	216.132572
ΔH_f, kcal/mol:	-241.29
Dipole, Da:	5.98
IP(EA), eV:	-9.57(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(C=C1)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations