Geometry & MOs

Info

ID:

430756

PubChem CID:

135170823

Reduced:

ON2C12H15 (2)

Stoich.:

AB2C12D15 (2)

Weight, g/mol:

467.294806

ΔHf, kcal/mol:

17.13

Dipole, Da:

3.87

IP(EA), eV:

 -8.77(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[[(5E)-3-ethyl-4-methylidene-5-prop-2-enylidenefuran-2-yl]methylamino]cyclohexyl]-4-[(E)-2-fluoroprop-1-enyl]-5-methyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CON=C2C3CC3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations