Geometry & MOs

Info

ID:	222338
PubChem CID:	85297007
Reduced:	O3C25H36 (1)
Stoich.:	A3B25C36 (1)
Weight, g/mol:	384.142902
ΔH_f, kcal/mol:	-130.17
Dipole, Da:	3.03
IP(EA), eV:	-8.76(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(1,3-dithiolan-2-yl)-3-hydroxy-6-methyl-5-phenylmethoxyheptanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1C(=CC=CC(=CC(=O)OCC)C)C)C(C)C)C(C)C

DOS

IR

Vibrations