Geometry & MOs

Info

ID:

185859

PubChem CID:

77360914

Reduced:

N3O7C13H25 (2)

Stoich.:

A3B7C13D25 (2)

Weight, g/mol:

557.253729

ΔHf, kcal/mol:

-640.57

Dipole, Da:

3.98

IP(EA), eV:

 -9.66(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

C1C(C(C(C(C1NC(=O)C2(CC(C2)N)O)OC3C(C(C(C(O3)CO)O)N)O)O)OC4C(C(C(C(O4)CNCC(CO)O)O)O)N)N

DOS

IR

Vibrations