Geometry & MOs

Info

ID:	416771
PubChem CID:	135090333
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	551.274384
ΔH_f, kcal/mol:	-81.6
Dipole, Da:	5.8
IP(EA), eV:	-9.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-(furan-3-carbonyl)-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

COCCN1CC(CC1=O)NC(=O)C2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations