Geometry & MOs

Info

ID:

223825

PubChem CID:

85335626

Reduced:

IOSN2H25C30 (1)

Stoich.:

ABCD2E25F30 (1)

Weight, g/mol:

588.147906

ΔHf, kcal/mol:

98.96

Dipole, Da:

15.1

IP(EA), eV:

 -6.88(-2.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)[N+]1=C(C2=C3C1=CC=CC3=C(C=C2)C=C4N(C5=CC=CC=C5S4)C)C6=CC=CC=C6.[I-]

DOS

IR

Vibrations