Geometry & MOs

Info

ID:

435672

PubChem CID:

135192124

Reduced:

OCl2N5F9H14C20 (1)

Stoich.:

AB2C5D9E14F20 (1)

Weight, g/mol:

553.320546

ΔHf, kcal/mol:

-367.76

Dipole, Da:

3.54

IP(EA), eV:

-8.81(-1.24)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-[(Z)-1-(6-methyl-1,2-dihydropyrimidin-5-yl)prop-1-enyl]-N-[(Z)-1-(2-methylidene-7-pent-1-en-3-yn-2-yl-1-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)prop-1-enyl]aniline

Drug info:

PubChemData

Smile

CONC1=C(C=CC(=C1)/C(=C/N(C2=C(C=C(C=C2Cl)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)Cl)N)/N)C#N

DOS

IR

Vibrations