Geometry & MOs

Info

ID:	419355
PubChem CID:	135108023
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	601.290034
ΔH_f, kcal/mol:	13.51
Dipole, Da:	4.08
IP(EA), eV:	-8.59(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-7-(1-benzofuran-2-carbonyl)-9-benzyl-3-methyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations