Geometry & MOs

Info

ID:

320831

PubChem CID:

126663805

Reduced:

ClF2N3O6H18C21 (1)

Stoich.:

AB2C3D6E18F21 (1)

Weight, g/mol:

478.155157

ΔHf, kcal/mol:

-249.46

Dipole, Da:

4.34

IP(EA), eV:

 -9.35(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,12aR)-7,8-difluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(propan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2CC3=C(C(=CC(=C3C(=O)C2=C4[C@]5([C@@H]1NC(=O)C(=C5O)C(=O)N)O4)O)CNCC(F)F)Cl

DOS

IR

Vibrations