Geometry & MOs

Info

ID:

334932

PubChem CID:

127253738

Reduced:

ClNO8C24H24 (1)

Stoich.:

ABC8D24E24 (1)

Weight, g/mol:

477.262757

ΔHf, kcal/mol:

-273.62

Dipole, Da:

3.99

IP(EA), eV:

 -8.85(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbonyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations