Geometry & MOs

Info

ID:	419562
PubChem CID:	135108419
Reduced:	ON4C15H26 (1)
Stoich.:	AB4C15D26 (1)
Weight, g/mol:	609.273339
ΔH_f, kcal/mol:	-15.67
Dipole, Da:	5.79
IP(EA), eV:	-9.1(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-15-ethyl-13-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-9-methyl-6-(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCC[C@H]1C[C@H]1C(=O)N(CCN(C)C)CC2=CN=CN2

DOS

IR

Vibrations