Geometry & MOs

Info

ID:

179424

PubChem CID:

76481914

Reduced:

N5O5S6C16H17 (1)

Stoich.:

A5B5C6D16E17 (1)

Weight, g/mol:

838.249529

ΔHf, kcal/mol:

-73.64

Dipole, Da:

5.36

IP(EA), eV:

 -9.25(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-3-[2-(2-fluorophenyl)ethenyl]-1-[1-(3-fluorophenyl)-6-(4-fluorophenyl)hexa-1,3,4-trien-3-yl]-4-[2-(4-methylsulfanylphenyl)ethenyl]-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(S)S(=O)C4=NCSC4)SC2)C(=O)O

DOS

IR

Vibrations