Geometry & MOs

Info

ID:	421255
PubChem CID:	135115653
Reduced:	NO5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	624.363533
ΔH_f, kcal/mol:	-197.97
Dipole, Da:	5.16
IP(EA), eV:	-8.89(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-3-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-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(=CC(=C1OC)OC)C(=O)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations