Geometry & MOs

Info

ID:

15114

PubChem CID:

429835

Reduced:

SN3O9C28H29 (1)

Stoich.:

AB3C9D28E29 (1)

Weight, g/mol:

583.162451

ΔHf, kcal/mol:

-308.7

Dipole, Da:

5.53

IP(EA), eV:

 -8.91(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-amino-1,3-thiazol-4-yl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C6=CSC(=N6)N)O)N)O

DOS

IR

Vibrations