Geometry & MOs

Info

ID:

52441

PubChem CID:

12015304

Reduced:

NO2C24H24 (2)

Stoich.:

AB2C24D24 (2)

Weight, g/mol:

772.424008

ΔHf, kcal/mol:

-11.15

Dipole, Da:

1.75

IP(EA), eV:

 -8.2(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-tert-butyl-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]ethenyl]phenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1/C=C/C2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)(C)C)OCC)/C=C/C5=CC=C(C=C5)C6=NC7=C(O6)C=CC(=C7)C(C)(C)C

DOS

IR

Vibrations