Geometry & MOs

Info

ID:	192904
PubChem CID:	78323506
Reduced:	ClF2O3N8H19C22 (1)
Stoich.:	AB2C3D8E19F22 (1)
Weight, g/mol:	305.179107
ΔH_f, kcal/mol:	-41.1
Dipole, Da:	5.39
IP(EA), eV:	-9.06(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-cyclohexyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1NC(=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)C(F)F)C(=O)NC/C=N/OC)NN=C2

DOS

IR

Vibrations