Geometry & MOs

Info

ID:	416639
PubChem CID:	135089897
Reduced:	FNO4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	359.120272
ΔH_f, kcal/mol:	-231.93
Dipole, Da:	4.74
IP(EA), eV:	-9.42(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-9-(3-fluorophenyl)sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)CC3=CC=C(C=C3)F)OC[C@@H]1O)O

DOS

IR

Vibrations