Geometry & MOs

Info

ID:

7625

PubChem CID:

73553

Reduced:

NO11C34H35 (1)

Stoich.:

AB11C34D35 (1)

Weight, g/mol:

633.221011

ΔHf, kcal/mol:

-383.5

Dipole, Da:

5.9

IP(EA), eV:

 -8.8(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCC6=CC=CC=C6)O

DOS

IR

Vibrations