Geometry & MOs

Info

ID:	127874
PubChem CID:	51020375
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	294.128966
ΔH_f, kcal/mol:	-46.96
Dipole, Da:	7.27
IP(EA), eV:	-8.75(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,5R,8S)-4,8-dimethyl-4-(phenylsulfanylmethyl)-2,3-dioxabicyclo[3.3.1]nonan-8-ol

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)CC(C4=CC=CC=C4)O

DOS

IR

Vibrations