Geometry & MOs

Info

ID:	379232
PubChem CID:	134356870
Reduced:	ON5H23C28 (1)
Stoich.:	AB5C23D28 (1)
Weight, g/mol:	145.056135
ΔH_f, kcal/mol:	110.34
Dipole, Da:	3.05
IP(EA), eV:	-7.7(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-sulfanyl-8-oxa-3-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

C=C1C=C2C=C(C=CN2C(=C1)C3=CC=NC4=CC=CC=C34)C5=CN=C(C=C5)N6CCNC(=O)C6

DOS

IR

Vibrations