Geometry & MOs

Info

ID:

177378

PubChem CID:

76178595

Reduced:

ClNO10C35H50 (1)

Stoich.:

ABC10D35E50 (1)

Weight, g/mol:

763.24762

ΔHf, kcal/mol:

-416.61

Dipole, Da:

10.0

IP(EA), eV:

 -8.67(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-carbamoyl-4,4a,6,7-tetrahydroxy-8-[4-hydroxy-6-methyl-5-(2-methylbut-2-enoyloxy)oxan-2-yl]-11-methoxy-11-methyl-2,5-dioxo-1,11a,12,12a-tetrahydrotetracen-1-yl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.C(C(C1C(=C(C(=O)O1)O)O)O)O.Cl

DOS

IR

Vibrations