Geometry & MOs

Info

ID:	28364
PubChem CID:	827205
Reduced:	FSN2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	254.090272
ΔH_f, kcal/mol:	6.65
Dipole, Da:	2.22
IP(EA), eV:	-8.61(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-nitrofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H]2CC3=CC=CC=C3SC4=C2C=CC(=C4)F

DOS

IR

Vibrations