Geometry & MOs

Info

ID:	417404
PubChem CID:	135093399
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	555.34207
ΔH_f, kcal/mol:	-122.71
Dipole, Da:	4.7
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)COCC(=O)NCCN2C(=O)C3=CC=CC=C3C=N2

DOS

IR

Vibrations