Geometry & MOs

Info

ID:	416676
PubChem CID:	135090013
Reduced:	OSN3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	373.135922
ΔH_f, kcal/mol:	9.95
Dipole, Da:	4.32
IP(EA), eV:	-9.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[(2-fluorophenyl)methylsulfonyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CSC=C4

DOS

IR

Vibrations