Geometry & MOs

Info

ID:	84965
PubChem CID:	49871009
Reduced:	O2C9H15 (2)
Stoich.:	A2B9C15 (2)
Weight, g/mol:	633.38902
ΔH_f, kcal/mol:	-171.24
Dipole, Da:	4.26
IP(EA), eV:	-9.7(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S,9S,12S,15R)-3,15-dibenzyl-1-methyl-6,9-bis(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

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C[C@H](/C=C(/C)\COC(=O)CCCCC=C)[C@@H]([C@@H](C=C)OC)O

DOS

IR

Vibrations