Geometry & MOs

Info

ID:	418098
PubChem CID:	135103529
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	563.310769
ΔH_f, kcal/mol:	19.2
Dipole, Da:	2.39
IP(EA), eV:	-8.64(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)CC3=CN=C(N=C3)NCC4=CC=CC=C4)OCC1

DOS

IR

Vibrations