Geometry & MOs

Info

ID:

223157

PubChem CID:

85334610

Reduced:

N13O17C58H97 (1)

Stoich.:

A13B17C58D97 (1)

Weight, g/mol:

1249.611822

ΔHf, kcal/mol:

-678.74

Dipole, Da:

4.04

IP(EA), eV:

 -7.65(-1.37)

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-morpholin-4-ylethylcarbamoylamino)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CO)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CN

DOS

IR

Vibrations