Geometry & MOs

Info

ID:

311816

PubChem CID:

126597799

Reduced:

FO3N7H16C20 (1)

Stoich.:

AB3C7D16E20 (1)

Weight, g/mol:

734.36795

ΔHf, kcal/mol:

-5.58

Dipole, Da:

0.97

IP(EA), eV:

 -8.64(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,4S,11S)-4,19-bis(dimethylamino)-18-[(2,2-dimethylpropylamino)methyl]-11,14-dihydroxy-8,16-bis(phenylmethoxy)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione

Drug info:

PubChemData

Smile

CC(C1=COC=N1)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)F)C

DOS

IR

Vibrations