Geometry & MOs

Info

ID:

8951

PubChem CID:

83970

Reduced:

NO11C27H31 (1)

Stoich.:

AB11C27D31 (1)

Weight, g/mol:

545.189711

ΔHf, kcal/mol:

-440.95

Dipole, Da:

5.3

IP(EA), eV:

 -8.94(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-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)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)([C@H](CO)O)O)N)O

DOS

IR

Vibrations