Geometry & MOs

Info

ID:

52439

PubChem CID:

12015302

Reduced:

NOH20C22 (2)

Stoich.:

ABC20D22 (2)

Weight, g/mol:

688.330108

ΔHf, kcal/mol:

80.49

Dipole, Da:

0.92

IP(EA), eV:

 -8.76(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(OC(=N2)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)/C=C/C5=CC=C(C=C5)C6=NC7=C(O6)C=CC(=C7)C(C)(C)C)C=C1)(C)C

DOS

IR

Vibrations