Geometry & MOs

Info

ID:

17119

PubChem CID:

484608

Reduced:

NO14C36H37 (1)

Stoich.:

AB14C36D37 (1)

Weight, g/mol:

707.221405

ΔHf, kcal/mol:

-502.59

Dipole, Da:

8.77

IP(EA), eV:

 -8.77(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)C6=CC(=C(C=C6)OC)OC)O)N)O

DOS

IR

Vibrations