Geometry & MOs

Info

ID:	419319
PubChem CID:	135107973
Reduced:	ON3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	414.091929
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	3.63
IP(EA), eV:	-8.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-methyl-9-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations