Geometry & MOs

Info

ID:

311800

PubChem CID:

126597720

Reduced:

ClO3N6H15C17 (1)

Stoich.:

AB3C6D15E17 (1)

Weight, g/mol:

568.278466

ΔHf, kcal/mol:

-14.44

Dipole, Da:

3.08

IP(EA), eV:

 -8.76(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CO)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NNC4=C3C=CC(=C4)Cl

DOS

IR

Vibrations