Geometry & MOs

Info

ID:

223104

PubChem CID:

85334515

Reduced:

N12O19C51H84 (1)

Stoich.:

A12B19C51D84 (1)

Weight, g/mol:

1169.516859

ΔHf, kcal/mol:

-961.12

Dipole, Da:

4.72

IP(EA), eV:

 -10.02(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-acetamidoacetyl)-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]-1-oxo-3-phenylpropan-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

CCC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(C)CC)C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)N

DOS

IR

Vibrations