Geometry & MOs

Info

ID:	414368
PubChem CID:	135087324
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	550.326754
ΔH_f, kcal/mol:	-0.62
Dipole, Da:	5.51
IP(EA), eV:	-9.24(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-15-ethyl-9-methyl-6-(2-methylpropyl)-13-(pyridin-2-ylmethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CSC(=N3)C4=NC=CC=N4)OCC1

DOS

IR

Vibrations