Geometry & MOs

Info

ID:	419945
PubChem CID:	135109987
Reduced:	NO4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	457.268905
ΔH_f, kcal/mol:	-133.7
Dipole, Da:	3.81
IP(EA), eV:	-9.08(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-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

COC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)N3CCC[C@@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations