Geometry & MOs

Info

ID:

185849

PubChem CID:

77360003

Reduced:

ClSN3O4C23H24 (1)

Stoich.:

ABC3D4E23F24 (1)

Weight, g/mol:

559.232993

ΔHf, kcal/mol:

-78.58

Dipole, Da:

5.75

IP(EA), eV:

 -9.18(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC(C3=C2C(=NO3)C)CC(=O)NC(OC)OC)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations