Geometry & MOs

Info

ID:	414547
PubChem CID:	135087506
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	445.226451
ΔH_f, kcal/mol:	0.61
Dipole, Da:	2.11
IP(EA), eV:	-9.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)CC2=CC(=CS2)C#CCO

DOS

IR

Vibrations