Geometry & MOs

Info

ID:

444793

PubChem CID:

135263550

Reduced:

BrON2F3H20C21 (1)

Stoich.:

ABC2D3E20F21 (1)

Weight, g/mol:

934.193975

ΔHf, kcal/mol:

-142.99

Dipole, Da:

4.6

IP(EA), eV:

 -8.3(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

anthracene-9,10-dione;N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline;4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(N1CC(F)(F)F)C3=C(C=CC(=C3)Br)OC)NC4=CC=CC=C24

DOS

IR

Vibrations