Geometry & MOs

Info

ID:	423859
PubChem CID:	135120515
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	550.326754
ΔH_f, kcal/mol:	-38.1
Dipole, Da:	6.37
IP(EA), eV:	-8.55(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-5-methyl-8-propan-2-yl-14-(pyridin-4-ylmethyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

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CC1=NC=C(N1)CN(CCO)CC2=C(C=CC3=CC=CC=C32)OC(C)C

DOS

IR

Vibrations