Geometry & MOs

Info

ID:

219966

PubChem CID:

85165094

Reduced:

SiN3O3F4C32H45 (1)

Stoich.:

AB3C3D4E32F45 (1)

Weight, g/mol:

623.343316

ΔHf, kcal/mol:

-310.31

Dipole, Da:

3.57

IP(EA), eV:

 -8.15(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[4-(4-butyl-N-[4-[2-(3-hydroxypropoxy)ethyl]phenyl]anilino)phenyl]ethenyl]-3-hexylthiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCCCCOCC3=C(C(=C(C(=C3F)F)N=[N+]=[N-])F)F)C)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations