Geometry & MOs

Info

ID:	159194
PubChem CID:	57264358
Reduced:	NSO7C12H15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	470.303224
ΔH_f, kcal/mol:	-254.2
Dipole, Da:	3.84
IP(EA), eV:	-10.79(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethylocta-2,6-dienoxy)-2-hex-1-enoxy-6-[(2-methylpropan-2-yl)oxy]-4H-chromen-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C=C[C@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C

DOS

IR

Vibrations