Geometry & MOs

Info

ID:	418514
PubChem CID:	135105421
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	557.35772
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	6.11
IP(EA), eV:	-8.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(N=CC=C2)NC3CCN(CC3)CC4=CC(=CC=C4)O

DOS

IR

Vibrations