Geometry & MOs

Info

ID:

223121

PubChem CID:

85334535

Reduced:

S2N14O19C46H66 (1)

Stoich.:

A2B14C19D46E66 (1)

Weight, g/mol:

1183.532509

ΔHf, kcal/mol:

-856.84

Dipole, Da:

13.99

IP(EA), eV:

 -9.07(-0.74)

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]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CS)C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CN=CN2)NC(=O)CN)O

DOS

IR

Vibrations