Geometry & MOs

Info

ID:

14933

PubChem CID:

424493

Reduced:

N5O10C28H33 (1)

Stoich.:

A5B10C28D33 (1)

Weight, g/mol:

599.222742

ΔHf, kcal/mol:

-347.7

Dipole, Da:

10.3

IP(EA), eV:

 -9.17(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-amino-3-[1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]urea

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)NN)C)O)N)O

DOS

IR

Vibrations