Geometry & MOs

Info

ID:

59631

PubChem CID:

24890741

Reduced:

ClN2O10C38H57 (1)

Stoich.:

AB2C10D38E57 (1)

Weight, g/mol:

541.15928

ΔHf, kcal/mol:

-394.22

Dipole, Da:

3.74

IP(EA), eV:

 -8.96(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-(4-ethylsulfonyloxy-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 5-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1C2(C(=O)C(C(O2)[C@@H](C[C@]3([C@@H]([C@@H]([C@@H]([C@H](C(=O)O1)C)OC/C(=N\OC4=CC(=CC=C4)Cl)/CO3)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)C)C)C)C

DOS

IR

Vibrations