Geometry & MOs

Info

ID:	179048
PubChem CID:	76426976
Reduced:	SN2O2C20H30 (1)
Stoich.:	AB2C2D20E30 (1)
Weight, g/mol:	293.156184
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	5.66
IP(EA), eV:	-8.94(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-azatricyclo[5.2.2.02,6]undecan-4-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)N(C)C(=O)C1C2C1CN(C2)CC3=CC=C(S3)C4CCCCO4

DOS

IR

Vibrations