Geometry & MOs

Info

ID:

148828

PubChem CID:

53788497

Reduced:

O2C9H15 (2)

Stoich.:

A2B9C15 (2)

Weight, g/mol:

1051.254849

ΔHf, kcal/mol:

-219.41

Dipole, Da:

2.27

IP(EA), eV:

 -10.26(0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)methyl 3-[2-[2-chloro-3-[2-[4-methyl-7-[(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)methoxysulfonyl]benzo[f]quinolin-4-ium-3-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-4-methylbenzo[f]quinoline-7-sulfonate

Drug info:

PubChemData

Smile

CC(C)C1(CCCC(C1)OC(=O)C2[C@H]3CC[C@@H](C2CO)O3)C

DOS

IR

Vibrations