Geometry & MOs

Info

ID:

334367

PubChem CID:

127252919

Reduced:

ClNO6C24H24 (1)

Stoich.:

ABC6D24E24 (1)

Weight, g/mol:

460.308979

ΔHf, kcal/mol:

-194.49

Dipole, Da:

3.43

IP(EA), eV:

 -8.81(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[4-[(2R)-1-[(1S,9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-1-oxopropan-2-yl]phenyl]methyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=CC(=C4)C(C)O

DOS

IR

Vibrations