Geometry & MOs

Info

ID:

312109

PubChem CID:

126603273

Reduced:

SN2O4C29H34 (1)

Stoich.:

AB2C4D29E34 (1)

Weight, g/mol:

485.196214

ΔHf, kcal/mol:

-76.38

Dipole, Da:

1.55

IP(EA), eV:

 -7.88(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aR,5aR,12aR)-7-fluoro-3,10,11-trihydroxy-4-(methylamino)-8-(1-methylpyrrolidin-2-yl)-1,12-dioxo-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCS(=O)NC1CCN(C2=C(C(=C(C=C12)OCC3=CC=CC=C3)C(=O)OC4=CC=CC=C4)C)C

DOS

IR

Vibrations