Geometry & MOs

Info

ID:

430757

PubChem CID:

135170824

Reduced:

FO2N3C28H38 (1)

Stoich.:

AB2C3D28E38 (1)

Weight, g/mol:

429.279156

ΔHf, kcal/mol:

-81.62

Dipole, Da:

2.99

IP(EA), eV:

 -8.42(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(O/C(=C/C=C)/C1=C)CN[C@@H]2CCC[C@@H](C2)N(CC)C(=O)C3=CC(=C(N3)C)/C=C(\C)/F

DOS

IR

Vibrations