Geometry & MOs

Info

ID:	416925
PubChem CID:	135090796
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	658.347883
ΔH_f, kcal/mol:	-51.26
Dipole, Da:	4.09
IP(EA), eV:	-9.54(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-5-methyl-14-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CN2C=CC=NC2=O)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations