Geometry & MOs

Info

ID:

185865

PubChem CID:

77361650

Reduced:

N3O9C28H37 (1)

Stoich.:

A3B9C28D37 (1)

Weight, g/mol:

607.250535

ΔHf, kcal/mol:

-337.7

Dipole, Da:

13.19

IP(EA), eV:

 -9.36(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCNCC1=CC(=C2C(=C1OC)CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C2O)O)O)C(=O)N)N(C)C)O

DOS

IR

Vibrations