Geometry & MOs

Info

ID:	416305
PubChem CID:	135089318
Reduced:	N5O5H15C16 (1)
Stoich.:	A5B5C15D16 (1)
Weight, g/mol:	347.176644
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	6.52
IP(EA), eV:	-10.1(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1N=C(N=N1)C2=CC=C(C=C2)C(=O)N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations