Geometry & MOs

Info

ID:

15194

PubChem CID:

432906

Reduced:

N2O20C59H62 (1)

Stoich.:

A2B20C59D62 (1)

Weight, g/mol:

1118.389592

ΔHf, kcal/mol:

-737.68

Dipole, Da:

1.4

IP(EA), eV:

 -9.18(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-acetyl-7-[4-[5-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]iminopentylideneamino]-5-hydroxy-6-methyloxan-2-yl]oxy-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)(C(=O)C)O)N=CCCCC=NC6CC(OC(C6O)C)OC7CC(CC8=C7C(=C9C(=C8O)C(=O)C1=C(C9=O)C(=CC=C1)OC)O)(C(=O)C)O)O

DOS

IR

Vibrations