Geometry & MOs

Info

ID:	417221
PubChem CID:	135091733
Reduced:	SN2O4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-169.64
Dipole, Da:	2.94
IP(EA), eV:	-9.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations