Geometry & MOs

Info

ID:

7403

PubChem CID:

72461

Reduced:

N2O14C35H36 (1)

Stoich.:

A2B14C35D36 (1)

Weight, g/mol:

708.216654

ΔHf, kcal/mol:

-546.06

Dipole, Da:

4.07

IP(EA), eV:

 -9.3(-2.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@@H](C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O)NC

DOS

IR

Vibrations