Geometry & MOs

Info

ID:	417636
PubChem CID:	135102346
Reduced:	ON6C13H22 (1)
Stoich.:	AB6C13D22 (1)
Weight, g/mol:	383.176644
ΔH_f, kcal/mol:	42.31
Dipole, Da:	3.96
IP(EA), eV:	-9.25(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-methyl-9-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC=NN1CCN(C)CC2=NN=CN2CCOC

DOS

IR

Vibrations