Geometry & MOs

Info

ID:	420463
PubChem CID:	135113276
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	366.124943
ΔH_f, kcal/mol:	-153.08
Dipole, Da:	2.4
IP(EA), eV:	-8.31(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CN1CCC[C@@H]1C(=O)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations