Geometry & MOs

Info

ID:

168320

PubChem CID:

74951143

Reduced:

SSi2N4O7C60H82 (1)

Stoich.:

AB2C4D7E60F82 (1)

Weight, g/mol:

485.08512

ΔHf, kcal/mol:

-273.03

Dipole, Da:

5.35

IP(EA), eV:

 -8.99(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-bromophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1C(OC(OC1C(C)CS(=O)(=O)C2=NN=NN2C3=CC=CC=C3)(C)C)C(C)CCC(C(C)C(CCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OC)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C

DOS

IR

Vibrations