Geometry & MOs

Info

ID:	386592
PubChem CID:	134982260
Reduced:	IC13H21 (1)
Stoich.:	AB13C21 (1)
Weight, g/mol:	422.303224
ΔH_f, kcal/mol:	2.77
Dipole, Da:	2.4
IP(EA), eV:	-9.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S,7R,8Z,10Z,12E)-5-(1-ethoxyethoxy)-2-[(3S,6R)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]tetradeca-8,10,12-trien-7-ol

Drug info:

PubChemData

Smile

C[C@H]1CCCC([C@@H]1/C=C/C=C\I)(C)C

DOS

IR

Vibrations