Geometry & MOs

Info

ID:	419681
PubChem CID:	135108696
Reduced:	NF3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	627.309055
ΔH_f, kcal/mol:	-290.04
Dipole, Da:	6.91
IP(EA), eV:	-9.47(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C1CN(C[C@@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)CCCC(F)(F)F

DOS

IR

Vibrations