Geometry & MOs

Info

ID:

9813

PubChem CID:

93457

Reduced:

N2O11C31H36 (1)

Stoich.:

A2B11C31D36 (1)

Weight, g/mol:

612.23191

ΔHf, kcal/mol:

-414.06

Dipole, Da:

7.9

IP(EA), eV:

 -8.8(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1[C@H](C(C[C@H](O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CN6CCOCC6)O)N)O

DOS

IR

Vibrations