Geometry & MOs

Info

ID:

222953

PubChem CID:

85333459

Reduced:

ClNSiO5C40H70 (1)

Stoich.:

ABCD5E40F70 (1)

Weight, g/mol:

708.224048

ΔHf, kcal/mol:

-334.46

Dipole, Da:

21.26

IP(EA), eV:

 -7.43(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-2-hydroxy-3-methylcyclohexyl]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O[Si](CCC2=CC=C(C=C2)C[N+](C)(C)C)(C(C)C)C(C)C.[Cl-]

DOS

IR

Vibrations