Geometry & MOs

Info

ID:

51384

PubChem CID:

12014041

Reduced:

SO2C60H66 (1)

Stoich.:

AB2C60D66 (1)

Weight, g/mol:

952.58532

ΔHf, kcal/mol:

0.74

Dipole, Da:

3.84

IP(EA), eV:

 -8.59(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (6S,7S)-1,4-bis[4-(4-butoxyphenyl)phenyl]-6,7-dioctoxy-5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCO[C@H]1CC2=C(SC(=C2C[C@@H]1OCCCCCCCC)C3=CC=C(C=C3)C4=CC=CC=C4C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7C8=CC=CC=C8

DOS

IR

Vibrations