Geometry & MOs

Info

ID:	415208
PubChem CID:	135088200
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	564.306018
ΔH_f, kcal/mol:	-2.6
Dipole, Da:	4.02
IP(EA), eV:	-9.09(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-15-ethyl-9-methyl-6-(2-methylpropyl)-13-(pyridine-4-carbonyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

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CC1([C@H]2CC=C([C@@H]1C2)CN(CCO)CC3=CN=CN3C)C

DOS

IR

Vibrations