Geometry & MOs

Info

ID:

223083

PubChem CID:

85334490

Reduced:

BrN11O11C56H70 (1)

Stoich.:

AB11C11D56E70 (1)

Weight, g/mol:

1152.547824

ΔHf, kcal/mol:

-425.14

Dipole, Da:

8.84

IP(EA), eV:

 -8.62(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[2-[[1-[[1-[[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]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NCCCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=C2C=C(C=C3)Br)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC(=O)N)N)O

DOS

IR

Vibrations