Geometry & MOs

Info

ID:

185589

PubChem CID:

77317344

Reduced:

ClFN2O4C23H26 (1)

Stoich.:

ABC2D4E23F26 (1)

Weight, g/mol:

861.324156

ΔHf, kcal/mol:

-207.32

Dipole, Da:

4.04

IP(EA), eV:

 -9.58(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-9-[3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]nonanamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)F)NC(=O)C(C(C(=O)N2CCCC2C3=CC(=CC=C3)Cl)O)O

DOS

IR

Vibrations