Geometry & MOs

Info

ID:	306825
PubChem CID:	125258686
Reduced:	FSN2O4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	342.104956
ΔH_f, kcal/mol:	-149.37
Dipole, Da:	3.88
IP(EA), eV:	-9.23(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7S,7aS)-4-cyclopropylsulfonyl-7-(3-fluoropyridin-2-yl)oxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H]2[C@@H]1N(CCO2)S(=O)(=O)C3CC3)OC4=C(C=CC=N4)F

DOS

IR

Vibrations