Geometry & MOs

Info

ID:

415960

PubChem CID:

135088962

Reduced:

NOC9H11 (2)

Stoich.:

ABC9D11 (2)

Weight, g/mol:

635.379518

ΔHf, kcal/mol:

-69.19

Dipole, Da:

4.66

IP(EA), eV:

 -8.73(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)C3=CNC4=CC=CC=C43)O

DOS

IR

Vibrations