Geometry & MOs

Info

ID:

308663

PubChem CID:

126497293

Reduced:

N2O3C26H36 (1)

Stoich.:

A2B3C26D36 (1)

Weight, g/mol:

412.272593

ΔHf, kcal/mol:

-87.79

Dipole, Da:

1.59

IP(EA), eV:

 -8.34(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,9R)-17-(cyclopropylmethyl)-4-hydroxy-10-methyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C[C@@H]3[C@@]45[C@]2(CCN3CC6CC6)CC(CC4)(CO5)N7CCOCC7)C=C1

DOS

IR

Vibrations