Geometry & MOs

Info

ID:

52440

PubChem CID:

12015303

Reduced:

NO2H22C23 (2)

Stoich.:

AB2C22D23 (2)

Weight, g/mol:

716.361408

ΔHf, kcal/mol:

2.98

Dipole, Da:

0.31

IP(EA), eV:

 -8.24(-1.15)

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-diethoxyphenyl]ethenyl]phenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)/C=C/C4=CC(=C(C=C4OC)/C=C/C5=CC=C(C=C5)C6=NC7=C(O6)C=CC(=C7)C(C)(C)C)OC

DOS

IR

Vibrations