Geometry & MOs

Info

ID:

414383

PubChem CID:

135087339

Reduced:

NO5C20H29 (1)

Stoich.:

AB5C20D29 (1)

Weight, g/mol:

597.327482

ΔHf, kcal/mol:

-194.72

Dipole, Da:

7.06

IP(EA), eV:

 -8.5(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-13-(1H-pyrazole-4-carbonyl)-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=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations