Geometry & MOs

Info

ID:	418424
PubChem CID:	135104661
Reduced:	ON7C20H23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	366.124943
ΔH_f, kcal/mol:	71.76
Dipole, Da:	5.32
IP(EA), eV:	-8.53(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=NN5C=CC=NC5=C4

DOS

IR

Vibrations