Geometry & MOs

Info

ID:	417201
PubChem CID:	135091629
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	580.280946
ΔH_f, kcal/mol:	-88.76
Dipole, Da:	8.1
IP(EA), eV:	-8.61(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-(3-fluoropyridine-4-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

CCOC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C(=O)C3=C(NC=N3)C

DOS

IR

Vibrations