Geometry & MOs

Info

ID:	81882
PubChem CID:	49855298
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	-145.04
Dipole, Da:	5.43
IP(EA), eV:	-9.04(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,5R,6R)-4-phenylmethoxy-3-oxa-7-thiabicyclo[4.1.0]heptan-5-ol

Drug info:

PubChemData

Smile

C/C=C/1\CC(N(C1)C(=O)C2=CC(=C(C=C2)O)OC)CO

DOS

IR

Vibrations