Geometry & MOs

Info

ID:

159291

PubChem CID:

57269464

Reduced:

NOSC11H12 (2)

Stoich.:

ABCD11E12 (2)

Weight, g/mol:

675.123346

ΔHf, kcal/mol:

-13.51

Dipole, Da:

5.57

IP(EA), eV:

 -8.76(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-4-(hydroxyamino)-6-methyloxan-2-yl]oxy-4-(trifluoromethylsulfonylmethoxy)-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC(=O)N(CC=C)C1=CC=CC=C1SSC2=CC=CC=C2N(CC=C)C(=O)C

DOS

IR

Vibrations