Geometry & MOs

Info

ID:	423259
PubChem CID:	135119198
Reduced:	NO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	550.326754
ΔH_f, kcal/mol:	-153.72
Dipole, Da:	6.35
IP(EA), eV:	-8.83(0.35)
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-(pyridin-4-ylmethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C1C[C@]2(COCC[C@@H]2N(C1)C(=O)CCC3=CC(=CC=C3)O)C4=CCOCC4

DOS

IR

Vibrations