Geometry & MOs

Info

ID:

143584

PubChem CID:

53230488

Reduced:

NF3H14C16 (1)

Stoich.:

AB3C14D16 (1)

Weight, g/mol:

656.271575

ΔHf, kcal/mol:

-114.41

Dipole, Da:

6.1

IP(EA), eV:

-9.34(-0.48)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(Z)-3-[tert-butyl(dimethyl)silyl]oxy-1-(3,3,5-trimethyl-1,1-dioxo-1,2-benzothiazol-2-yl)prop-1-enyl]-N-[1-(4-methylphenyl)ethenyl]-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C(F)(F)F)C

DOS

IR

Vibrations