Geometry & MOs

Info

ID:	414626
PubChem CID:	135087585
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	341.140927
ΔH_f, kcal/mol:	-52.9
Dipole, Da:	8.75
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CN(C)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations