Geometry & MOs

Info

ID:	318857
PubChem CID:	126653546
Reduced:	SO2C25H34 (1)
Stoich.:	AB2C25D34 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-65.49
Dipole, Da:	4.71
IP(EA), eV:	-9.12(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-1-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCCCC[C@@H](C1=CC=C(C=C1)C(=O)[C@@H](CCCC2=CC=CS2)CCC=C)O

DOS

IR

Vibrations