Geometry & MOs

Info

ID:

186595

PubChem CID:

77451058

Reduced:

N7O17C32H59 (1)

Stoich.:

A7B17C32D59 (1)

Weight, g/mol:

618.230134

ΔHf, kcal/mol:

-769.91

Dipole, Da:

3.58

IP(EA), eV:

 -9.58(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,7-bis(dimethylamino)-1,12,13,14a-tetrahydroxy-3,14-dioxo-10-[(2,2,2-trifluoroethylamino)methyl]-4a,5,5a,6-tetrahydro-4H-pentacene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)(C(=O)NC2CC(C(C(C2O)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)OC5C(C(C(C(O5)CN)O)O)N)N)O

DOS

IR

Vibrations