Geometry & MOs

Info

ID:

311824

PubChem CID:

126597947

Reduced:

F2O4N7C24H29 (1)

Stoich.:

A2B4C7D24E29 (1)

Weight, g/mol:

550.21153

ΔHf, kcal/mol:

-167.37

Dipole, Da:

4.55

IP(EA), eV:

 -8.53(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,12aR)-8-[[ethyl(2-phenylethyl)amino]methyl]-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CO)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=C(C=C4)OC(F)F)CCCN(C)C

DOS

IR

Vibrations