Geometry & MOs

Info

ID:

445347

PubChem CID:

135266309

Reduced:

N2C23H28 (1)

Stoich.:

A2B23C28 (1)

Weight, g/mol:

643.408396

ΔHf, kcal/mol:

76.66

Dipole, Da:

3.12

IP(EA), eV:

 -8.82(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[3-[(4E,6E)-2-(cyclohexylamino)-6-(2-fluoroethenyl)-5-methyl-3-propan-2-ylidenenona-1,4,6,8-tetraen-4-yl]phenyl]imidazolidin-1-yl]-N-[dimethyl(methylamino)-lambda4-sulfanyl]aniline

Drug info:

PubChemData

Smile

CC/C(=C(\C1=CC=C(C=C1)C)/C(=C/C=C)/C2=CC=CC(=C2)C)/N(C)N

DOS

IR

Vibrations