Geometry & MOs

Info

ID:

311840

PubChem CID:

126598206

Reduced:

FOCl2N6C15H15 (1)

Stoich.:

ABC2D6E15F15 (1)

Weight, g/mol:

540.2584

ΔHf, kcal/mol:

-15.8

Dipole, Da:

2.0

IP(EA), eV:

 -8.68(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,12aR)-7-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-8-[(2-pyrrolidin-1-ylethylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CO)NC1=NC=C2C(=N1)N(C(=N2)NC3=C(C=C(C=C3Cl)Cl)F)C

DOS

IR

Vibrations