Geometry & MOs

Info

ID:	221902
PubChem CID:	85292536
Reduced:	OSC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	374.230453
ΔH_f, kcal/mol:	-104.13
Dipole, Da:	1.05
IP(EA), eV:	-9.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-hydroxy-3,5-dimethoxyhexan-2-yl)-4-(4-hydroxy-2-methoxypentyl)-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

CC12CCC(C1(C)CSSCC3(C4CCC3(C(=O)C4)C)C)CC2=O

DOS

IR

Vibrations