Geometry & MOs

Info

ID:

430960

PubChem CID:

135171030

Reduced:

FO2N4C24H33 (1)

Stoich.:

AB2C4D24E33 (1)

Weight, g/mol:

416.258754

ΔHf, kcal/mol:

-76.31

Dipole, Da:

3.04

IP(EA), eV:

 -8.56(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-[3-[[(2E)-2-ethylidene-3H-furan-5-yl]methylamino]cyclohexyl]-4-[(E)-2-fluoroprop-1-enyl]-5-methyl-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=C)/C(=C\C)/O2)C(=O)C3=NC(=C(N3)C)/C=C(\C)/F

DOS

IR

Vibrations