Geometry & MOs

Info

ID:

311843

PubChem CID:

126598252

Reduced:

NO6C23H25 (1)

Stoich.:

AB6C23D25 (1)

Weight, g/mol:

578.223986

ΔHf, kcal/mol:

-205.8

Dipole, Da:

8.9

IP(EA), eV:

 -9.08(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\1/COC(OC1=O)(C)C)/NC2=CC(=C(C=C2)OCC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations