Geometry & MOs

Info

ID:

215012

PubChem CID:

85083992

Reduced:

S2F3O3N5C32H42 (1)

Stoich.:

A2B3C3D5E32F42 (1)

Weight, g/mol:

629.247226

ΔHf, kcal/mol:

-222.28

Dipole, Da:

9.45

IP(EA), eV:

 -8.13(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-amino-6-methyl-5-(oxan-2-yloxy)oxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC(C)N(C)C1CCC(C(C1)CS(=O)(=O)C2=CC=CC=C2)N3CCC(C3=O)N(C4=NC(=NC5=C4SC(=C5)C(C)(C)C)F)C(F)F

DOS

IR

Vibrations