Geometry & MOs

Info

ID:	368564
PubChem CID:	127329475
Reduced:	NSF2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	279.219829
ΔH_f, kcal/mol:	-196.64
Dipole, Da:	4.77
IP(EA), eV:	-9.61(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undecan-2-yl)-2-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C2=C(C=C(C=C2)C(=O)NC3CCCS(=O)(=O)C3)F

DOS

IR

Vibrations