Geometry & MOs

Info

ID:	437383
PubChem CID:	135226192
Reduced:	ClF2O3N4H21C28 (1)
Stoich.:	AB2C3D4E21F28 (1)
Weight, g/mol:	369.154035
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	5.73
IP(EA), eV:	-9.16(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-acetyl-N-[3-(2-ethylphenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](C=C([C@@H]1C(=O)NC2=CC=CC(=C2F)C3=CC=CC=C3Cl)C(=O)CN4C5=CC=CC=C5C(=N4)C(=O)N)F

DOS

IR

Vibrations