Geometry & MOs

Info

ID:

82717

PubChem CID:

49856390

Reduced:

SF4N5O10C40H49 (1)

Stoich.:

AB4C5D10E40F49 (1)

Weight, g/mol:

618.137341

ΔHf, kcal/mol:

-577.79

Dipole, Da:

7.1

IP(EA), eV:

 -9.32(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,7-dihydroxy-3-methoxy-6-methyl-2-[(5S,6R,7S,8S)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl]anthracene-9,10-dione

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C2(C[C@H]2C(F)F)NC(=O)[C@@H]3CC4CN3C(=O)[C@H](NC(=O)OC5CCCC5OCCCC(C6=CC7=CC=CC=C7N=C6O4)(F)F)C8CCOCC8

DOS

IR

Vibrations