Geometry & MOs

Info

ID:

185861

PubChem CID:

77360916

Reduced:

N8O12C23H46 (1)

Stoich.:

A8B12C23D46 (1)

Weight, g/mol:

583.289365

ΔHf, kcal/mol:

-532.32

Dipole, Da:

5.67

IP(EA), eV:

 -9.42(0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)N=C(N)N)N

DOS

IR

Vibrations