Geometry & MOs

Info

ID:	422448
PubChem CID:	135117846
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	641.298012
ΔH_f, kcal/mol:	-51.75
Dipole, Da:	4.74
IP(EA), eV:	-8.85(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)CN2CCC3(CC2)CNC(=O)CCO3

DOS

IR

Vibrations