Geometry & MOs

Info

ID:

397298

PubChem CID:

135030011

Reduced:

ClIO7C29H32 (1)

Stoich.:

ABC7D29E32 (1)

Weight, g/mol:

708.23374

ΔHf, kcal/mol:

-220.51

Dipole, Da:

2.37

IP(EA), eV:

 -8.76(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[(1R,6R)-3-chloro-6-[[(4R)-4-methyl-1,3-dioxan-4-yl]methyl]-2,5-dioxocyclohex-3-en-1-yl]-8-(2,2-dimethylpropanoyloxy)-6-methoxy-3-methyl-9,10-dioxoanthracen-1-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C[C@]1(CCOCO1)CC2=C(C(=C(C=C2OCC3=CC=CC=C3)Cl)OC)C4=C(C=CC(=C4OCOC)I)OC

DOS

IR

Vibrations