Geometry & MOs

Info

ID:

224193

PubChem CID:

85339856

Reduced:

SO16N17C56H95 (1)

Stoich.:

AB16C17D56E95 (1)

Weight, g/mol:

1304.679173

ΔHf, kcal/mol:

-793.44

Dipole, Da:

5.7

IP(EA), eV:

 -8.81(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)NCC(=O)NC(CS)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)N3CCCC3C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)O)N

DOS

IR

Vibrations