Geometry & MOs

Info

ID:	51025
PubChem CID:	12013639
Reduced:	OSC19H28 (1)
Stoich.:	ABC19D28 (1)
Weight, g/mol:	320.181001
ΔH_f, kcal/mol:	-54.74
Dipole, Da:	2.58
IP(EA), eV:	-8.32(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-heptyl-6-(4-methoxyphenyl)sulfanyl-3,4-dihydro-2H-pyran

Drug info:

PubChemData

Smile

CCCCCCCC1CCC=C(O1)SC2=CC=C(C=C2)C

DOS

IR

Vibrations