Geometry & MOs

Info

ID:	419902
PubChem CID:	135109639
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	398.151158
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	2.3
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC(=O)N3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations