Geometry & MOs

Info

ID:

320828

PubChem CID:

126663794

Reduced:

S2N4H30C45 (1)

Stoich.:

A2B4C30D45 (1)

Weight, g/mol:

579.238079

ΔHf, kcal/mol:

248.61

Dipole, Da:

4.3

IP(EA), eV:

 -8.02(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aS,5aR,12aR)-8-[[benzyl(methyl)amino]methyl]-4-(dimethylamino)-7-fluoro-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=C1C=C(C=C3)C4=CC5=C(C=C4)SC6=C5C=C(C=C6)C7=CC=CC=C7)C8=CC9=C(C=C8)SC1=CC=CC=C19)CN=[N+]=[N-]

DOS

IR

Vibrations