Geometry & MOs

Info

ID:	381137
PubChem CID:	134971788
Reduced:	NOSC19H19 (1)
Stoich.:	ABCD19E19 (1)
Weight, g/mol:	168.151415
ΔH_f, kcal/mol:	34.5
Dipole, Da:	2.79
IP(EA), eV:	-9.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-hexyl-3,6-dihydro-2H-pyran

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](OC(=N1)SC/C=C/C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations