Geometry & MOs

Info

ID:

396282

PubChem CID:

135027915

Reduced:

IN2O3H15C18 (1)

Stoich.:

AB2C3D15E18 (1)

Weight, g/mol:

485.350509

ΔHf, kcal/mol:

-59.22

Dipole, Da:

7.08

IP(EA), eV:

 -8.87(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S,4R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,3S,7S,8R,10S)-8-hydroxy-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(=[NH+]C1=CC=CC=C1C(=O)N)C2=CC3=CC=CC=C3OC2=O.[I-]

DOS

IR

Vibrations