Geometry & MOs

Info

ID:	417001
PubChem CID:	135091077
Reduced:	ClN4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	307.145344
ΔH_f, kcal/mol:	11.83
Dipole, Da:	5.24
IP(EA), eV:	-8.79(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)NCCC(C)N(C)C)Cl

DOS

IR

Vibrations