Geometry & MOs

Info

ID:	337093
PubChem CID:	127256658
Reduced:	SO4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	308.235145
ΔH_f, kcal/mol:	-113.3
Dipole, Da:	6.55
IP(EA), eV:	-9.61(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylheptyl 5-(2H-pyran-2-yl)pentanoate

Drug info:

PubChemData

Smile

C1CC(=O)O[C@H]([C@H]1S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations