Geometry & MOs

Info

ID:

222137

PubChem CID:

85294635

Reduced:

N2Cl3O17C37H43 (1)

Stoich.:

A2B3C17D37E43 (1)

Weight, g/mol:

914.27054

ΔHf, kcal/mol:

-715.56

Dipole, Da:

3.05

IP(EA), eV:

 -9.34(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-[[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]amino]-2-oxoethoxy]acetyl]amino]ethylamino]-2-oxoethoxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C1=O)C2C(C(C(OC2OC(=N)C(Cl)(Cl)Cl)COC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COCC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations