Geometry & MOs

Info

ID:	419274
PubChem CID:	135107877
Reduced:	NOC8H14 (2)
Stoich.:	ABC8D14 (2)
Weight, g/mol:	613.307576
ΔH_f, kcal/mol:	-118.66
Dipole, Da:	3.02
IP(EA), eV:	-9.14(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3(CCCC3)N

DOS

IR

Vibrations