Geometry & MOs

Info

ID:	51028
PubChem CID:	12013642
Reduced:	NOS2C19H25 (1)
Stoich.:	ABC2D19E25 (1)
Weight, g/mol:	326.134051
ΔH_f, kcal/mol:	-14.12
Dipole, Da:	3.46
IP(EA), eV:	-9.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(benzenesulfinyl)-2-(3-phenylpropyl)-3,4-dihydro-2H-pyran

Drug info:

PubChemData

Smile

CCCCCCCC1CCC=C(O1)SC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations