Geometry & MOs

Info

ID:

146882

PubChem CID:

53765460

Reduced:

OC24H41 (2)

Stoich.:

AB24C41 (2)

Weight, g/mol:

616.162317

ΔHf, kcal/mol:

-84.52

Dipole, Da:

3.81

IP(EA), eV:

 -7.78(0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-tert-butyl-4-[6-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxo-6-propan-2-yloxan-3-yl]sulfanyl-2-methylphenyl] thiophene-2-sulfonate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OC1CC[C@]2(C(C1(C)C)CCC3=C2CC[C@@]4([C@]3(CC[C@@H]4[C@H](C)CCC=C(C)C)C)C)C

DOS

IR

Vibrations