Geometry & MOs

Info

ID:

437381

PubChem CID:

135226190

Reduced:

ClF2O3N7H30C32 (1)

Stoich.:

AB2C3D7E30F32 (1)

Weight, g/mol:

414.175499

ΔHf, kcal/mol:

-100.47

Dipole, Da:

7.53

IP(EA), eV:

 -9.1(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-1-N-[3-(2-ethylphenyl)-2-fluorophenyl]-4-fluoro-2-N-methoxy-2-N-methylcyclopent-2-ene-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=CC=CC=C21)CC(=O)N3C[C@@H](C[C@H]3C(=O)NC4=CC=CC(=C4F)C5=C(C6=C(C=C5)NC(=N6)CCCN)Cl)F

DOS

IR

Vibrations